C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)O
CAS: 1486-51-7
Name: 4-phenylmethoxybenzoic acid
SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)O

Molecular Processing

Molecular formula
C14H12O3
Molecular weight
228.25
Exact mass
228.0786
XLogP
2.96
TPSA
46.53
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.071
Molar refractivity
64.18

Supplementary Information

InChIKey: AQSCHALQLXXKKC-UHFFFAOYSA-N
Synonyme
4-Benzyloxybenzoic acid4-(benzyloxy)benzoic acid1486-51-7Benzoic acid, 4-(phenylmethoxy)-4K45H4G7KPNSC-16633DTXSID00164030BRL-14280RefChem:912246DTXCID8086521216-066-04-phenylmethoxybenzoic acid4-(phenylmethoxy)benzoic acidMFCD00016527p-(Benzyloxy)benzoic acidCHEMBL31344114-benzyloxy benzoic acid4-(Benzyloxy)benzoicacid4-Benzyloxy-benzoic acidBrl 14280p-(Benzyloxy)benzoic Acid; 4-(Benzyloxy)benzoic Acid; 4-(Phenylmethoxy)benzoic Acid; BRL 14280; NSC 16633; p-(Benzyloxy)benzoic AcidEINECS 216-066-0NSC 166334benzyloxybenzoic acidp-benzyloxybenzoic acidZerenex e/90716604-(benzyloxy)-benzoic acidUNII-4K45H4G7KPOprea1_723890SCHEMBL228477
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