3-[(3-bromophenyl)methyl]cycloheptan-1-ol

C14H19BrO — CID 64515099

IUPAC3-[(3-bromophenyl)methyl]cycloheptan-1-ol
SMILESOC1CCCCC(Cc2cccc(Br)c2)C1
InChIInChI=1S/C14H19BrO/c15-13-6-3-5-11(9-13)8-12-4-1-2-7-14(16)10-12/h3,5-6,9,12,14,16H,1-2,4,7-8,10H2
InChIKeyOQNBNRPZLRWGAC-UHFFFAOYSA-N
MW283.21 g/mol
LogP3.93
Rot. Bonds2

About 3-[(3-bromophenyl)methyl]cycloheptan-1-ol

3-[(3-bromophenyl)methyl]cycloheptan-1-ol (PubChem CID 64515099) has the molecular formula C14H19BrO and a molecular weight of 283.21 g/mol. Its IUPAC name is 3-[(3-bromophenyl)methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name3-[(3-bromophenyl)methyl]cycloheptan-1-ol
PubChem CID64515099
Molecular FormulaC14H19BrO
Molecular Weight283.21 g/mol
Exact Mass282.06
IUPAC Name3-[(3-bromophenyl)methyl]cycloheptan-1-ol
SMILESOC1CCCCC(Cc2cccc(Br)c2)C1
InChIInChI=1S/C14H19BrO/c15-13-6-3-5-11(9-13)8-12-4-1-2-7-14(16)10-12/h3,5-6,9,12,14,16H,1-2,4,7-8,10H2
InChIKeyOQNBNRPZLRWGAC-UHFFFAOYSA-N
XLogP3.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(3-bromophenyl)methyl]cycloheptan-1-one
CID 64503625
3-[(4-fluorophenyl)methyl]cycloheptan-1-ol
CID 64514392
3-[(4-iodophenyl)methyl]cycloheptan-1-ol
CID 65490170
N-[(3-bromophenyl)methyl]-1-cyclohexylmethanamine
CID 43215546
3-[(3-bromophenyl)methyl]azetidine;hydrochloride
CID 137347061
4-[2-(3-bromophenyl)ethyl]cyclohexan-1-ol
CID 147053018
N-[(3-bromophenyl)methyl]-1-cyclobutylmethanamine
CID 43298546
1-[(1R,3R)-3-[(3-bromophenyl)methyl]cyclopentyl]ethanone;1-[(1S,3R)-3-[(3-bromophenyl)methyl]-4-hydroxycyclopentyl]ethanone
CID 160647934
3-[(4-methylphenyl)methyl]cyclohexan-1-ol
CID 64515561
3-[(5-bromofuran-2-yl)methyl]cyclohexan-1-ol
CID 130835243
N-[(3-bromophenyl)methyl]-1-cyclopentyl-N-methylmethanamine
CID 55151680
1-bromo-3-(2-chloro-3-cyclopentylpropyl)benzene
CID 63542179

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenyl)methyl]cycloheptan-1-ol?
The IUPAC name of 3-[(3-bromophenyl)methyl]cycloheptan-1-ol (CID 64515099) is 3-[(3-bromophenyl)methyl]cycloheptan-1-ol.
What is the SMILES notation for 3-[(3-bromophenyl)methyl]cycloheptan-1-ol?
The canonical SMILES for 3-[(3-bromophenyl)methyl]cycloheptan-1-ol is OC1CCCCC(Cc2cccc(Br)c2)C1.
What is the InChIKey of 3-[(3-bromophenyl)methyl]cycloheptan-1-ol?
The InChIKey is OQNBNRPZLRWGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO/c15-13-6-3-5-11(9-13)8-12-4-1-2-7-14(16)10-12/h3,5-6,9,12,14,16H,1-2,4,7-8,10H2.
What are the key properties of 3-[(3-bromophenyl)methyl]cycloheptan-1-ol?
3-[(3-bromophenyl)methyl]cycloheptan-1-ol has a molecular weight of 283.21 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromophenyl)methyl]cycloheptan-1-ol is sourced from PubChem (CID 64515099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).