6-[(3-bromophenyl)methyl]bicyclo[3.1.0]hexan-6-ol

C13H15BrO — CID 79331771

IUPAC6-[(3-bromophenyl)methyl]bicyclo[3.1.0]hexan-6-ol
SMILESOC1(Cc2cccc(Br)c2)C2CCCC21
InChIInChI=1S/C13H15BrO/c14-10-4-1-3-9(7-10)8-13(15)11-5-2-6-12(11)13/h1,3-4,7,11-12,15H,2,5-6,8H2
InChIKeyORUXTSPFPGQKDJ-UHFFFAOYSA-N
MW267.17 g/mol
LogP3.15
Rot. Bonds2

About 6-[(3-bromophenyl)methyl]bicyclo[3.1.0]hexan-6-ol

6-[(3-bromophenyl)methyl]bicyclo[3.1.0]hexan-6-ol (PubChem CID 79331771) has the molecular formula C13H15BrO and a molecular weight of 267.17 g/mol. Its IUPAC name is 6-[(3-bromophenyl)methyl]bicyclo[3.1.0]hexan-6-ol.

Molecular Properties

Compound Name6-[(3-bromophenyl)methyl]bicyclo[3.1.0]hexan-6-ol
PubChem CID79331771
Molecular FormulaC13H15BrO
Molecular Weight267.17 g/mol
Exact Mass266.03
IUPAC Name6-[(3-bromophenyl)methyl]bicyclo[3.1.0]hexan-6-ol
SMILESOC1(Cc2cccc(Br)c2)C2CCCC21
InChIInChI=1S/C13H15BrO/c14-10-4-1-3-9(7-10)8-13(15)11-5-2-6-12(11)13/h1,3-4,7,11-12,15H,2,5-6,8H2
InChIKeyORUXTSPFPGQKDJ-UHFFFAOYSA-N
XLogP3.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3-bromophenyl)methyl]cycloheptan-1-ol
CID 60797544
3-[(3-bromophenyl)methyl]oxetan-3-ol
CID 164643776
1-[(3-bromophenyl)methyl]-4-tert-butylcycloheptan-1-ol
CID 65094519
1-[(3-bromophenyl)methyl]-4-methylcyclohexan-1-amine
CID 60799051
1-[2-(3-bromophenyl)ethyl]cyclopentan-1-ol
CID 115073744
1-[2-(3-bromophenyl)ethyl]cyclopropan-1-ol
CID 84702390
N-[(3-bromophenyl)methyl]-1-cyclobutylmethanamine
CID 43298546
2-(3-bromophenyl)-N-cyclopentylacetamide
CID 62605138
2-[(3-bromophenyl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
CID 115401415
4-[(3-bromophenyl)methyl]-1-ethylazepan-4-ol
CID 65077307
2-[(3-bromophenyl)methyl-methylamino]cyclopentane-1-carboxylic acid
CID 63072969
1-bromo-3-[(1-propylcyclopropyl)methyl]benzene
CID 143267542

Frequently Asked Questions

What is the IUPAC name of 6-[(3-bromophenyl)methyl]bicyclo[3.1.0]hexan-6-ol?
The IUPAC name of 6-[(3-bromophenyl)methyl]bicyclo[3.1.0]hexan-6-ol (CID 79331771) is 6-[(3-bromophenyl)methyl]bicyclo[3.1.0]hexan-6-ol.
What is the SMILES notation for 6-[(3-bromophenyl)methyl]bicyclo[3.1.0]hexan-6-ol?
The canonical SMILES for 6-[(3-bromophenyl)methyl]bicyclo[3.1.0]hexan-6-ol is OC1(Cc2cccc(Br)c2)C2CCCC21.
What is the InChIKey of 6-[(3-bromophenyl)methyl]bicyclo[3.1.0]hexan-6-ol?
The InChIKey is ORUXTSPFPGQKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrO/c14-10-4-1-3-9(7-10)8-13(15)11-5-2-6-12(11)13/h1,3-4,7,11-12,15H,2,5-6,8H2.
What are the key properties of 6-[(3-bromophenyl)methyl]bicyclo[3.1.0]hexan-6-ol?
6-[(3-bromophenyl)methyl]bicyclo[3.1.0]hexan-6-ol has a molecular weight of 267.17 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-bromophenyl)methyl]bicyclo[3.1.0]hexan-6-ol is sourced from PubChem (CID 79331771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).