C1C2CC3CC1CC(C2)(C3)C4=C(C=C(C=C4)Br)O
Name: 2-(1-adamantyl)-5-bromophenol
SMILES: C1C2CC3CC1CC(C2)(C3)C4=C(C=C(C=C4)Br)O

Molecular Processing

Molecular formula
C16H19BrO
Molecular weight
307.23
Exact mass
306.0619
XLogP
4.62
TPSA
20.23
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
18
Rings
5
Aromatic rings
1
Saturated rings
4
Aliphatic rings
4
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.625
Molar refractivity
75.66

Supplementary Information

InChIKey: IOZVATPXSYDKNM-UHFFFAOYSA-N
Synonyme
SCHEMBL60333662-(1-Adamantyl)-5-bromophenolIOZVATPXSYDKNM-UHFFFAOYSA-N
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