CAS: 52804-26-9
Name: 2-[4-(1-adamantyl)phenoxy]acetic acid
SMILES:
C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)OCC(=O)OMolecular Processing
Molecular formula
C18H22O3
Molecular weight
286.37
Exact mass
286.1569
XLogP
3.62
TPSA
46.53
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
21
Rings
5
Aromatic rings
1
Saturated rings
4
Aliphatic rings
4
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.611
Molar refractivity
79.42
Supplementary Information
InChIKey: WIWCHWGNONICJI-UHFFFAOYSA-N
Synonyme
52804-26-9PMID26882240-Compound-8RefChem:373625[4-(1-Adamantyl)phenoxy]acetic acid2-(4-(adamantan-1-yl)phenoxy)acetic acid2-[4-(1-adamantyl)phenoxy]acetic acidMFCD00168197(4-Adamantan-1-yl-phenoxy)-acetic acid2-[4-(adamantan-1-yl)phenoxy]acetic acid2-(4-adamantanylphenoxy)acetic acidacetic acid, (4-tricyclo[3.3.1.1~3,7~]dec-1-ylphenoxy)-(4-(1-ADAMANTYL)PHENOXY)ACETIC ACIDOprea1_157400Oprea1_723072CBDivE_002637SCHEMBL421046CHEMBL4446911Acetic acid, (4-tricyclo[3.3.1.13,7]dec-1-ylphenoxy)-DTXSID20347747p-(1-adamantyl)phenoxyacetic acidALBB-023309[4-(1-Adamantyl)phenoxy]aceticacid4-adamantan-1-yl-phenoxyacetic acidSBB056606[4-(Adamantyl-1)phenoxy]acetic acid4-adamantan-1-yl-phenoxy acetic acidAKOS000125414(4-adamantan-1-yl-phenoxy)acetic acid[4-(1-adamantyl)-phenoxy]acetic acid(4-Adamantan-1-yl-phenoxy) acetic acid
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