1-(2-bromo-6-methylphenyl)cyclohexan-1-ol

C13H17BrO — CID 117104241

IUPAC1-(2-bromo-6-methylphenyl)cyclohexan-1-ol
SMILESCc1cccc(Br)c1C1(O)CCCCC1
InChIInChI=1S/C13H17BrO/c1-10-6-5-7-11(14)12(10)13(15)8-3-2-4-9-13/h5-7,15H,2-4,8-9H2,1H3
InChIKeyFNCAAVYRXYMVLF-UHFFFAOYSA-N
MW269.18 g/mol
LogP3.91
Rot. Bonds1

About 1-(2-bromo-6-methylphenyl)cyclohexan-1-ol

1-(2-bromo-6-methylphenyl)cyclohexan-1-ol (PubChem CID 117104241) has the molecular formula C13H17BrO and a molecular weight of 269.18 g/mol. Its IUPAC name is 1-(2-bromo-6-methylphenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(2-bromo-6-methylphenyl)cyclohexan-1-ol
PubChem CID117104241
Molecular FormulaC13H17BrO
Molecular Weight269.18 g/mol
Exact Mass268.05
IUPAC Name1-(2-bromo-6-methylphenyl)cyclohexan-1-ol
SMILESCc1cccc(Br)c1C1(O)CCCCC1
InChIInChI=1S/C13H17BrO/c1-10-6-5-7-11(14)12(10)13(15)8-3-2-4-9-13/h5-7,15H,2-4,8-9H2,1H3
InChIKeyFNCAAVYRXYMVLF-UHFFFAOYSA-N
XLogP3.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.18
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1-hydroxycyclopentyl)-3-methylphenol
CID 117104122
2-(1-hydroxycyclohexyl)-6-methylphenol
CID 117104328
1-(3-bromo-2-fluoro-6-methylphenyl)cyclopropan-1-ol
CID 84802774
2-(1-hydroxycyclopentyl)benzene-1,3-diol
CID 117104102
5-bromospiro[2,3-dihydronaphthalene-4,1'-cyclopentane]-1-one;ethane
CID 145243856
1-(10-propylanthracen-9-yl)cyclohexan-1-ol
CID 129179763
3-fluoro-2-(1-hydroxycyclohexyl)phenol
CID 117104238
ethane;1-phenylcyclohexan-1-ol
CID 144640846
2-[1-(aminomethyl)cyclohexyl]-3-bromo-6-methylphenol
CID 117480430
3-(2-bromo-6-hydroxyphenyl)pyrrolidin-3-ol
CID 117103918
1-(5-bromo-2-fluoro-3-methylphenyl)cyclohexan-1-ol
CID 171367158
1-[(2,6-dimethylanilino)methyl]cyclohexan-1-ol
CID 62332412

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-methylphenyl)cyclohexan-1-ol?
The IUPAC name of 1-(2-bromo-6-methylphenyl)cyclohexan-1-ol (CID 117104241) is 1-(2-bromo-6-methylphenyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(2-bromo-6-methylphenyl)cyclohexan-1-ol?
The canonical SMILES for 1-(2-bromo-6-methylphenyl)cyclohexan-1-ol is Cc1cccc(Br)c1C1(O)CCCCC1.
What is the InChIKey of 1-(2-bromo-6-methylphenyl)cyclohexan-1-ol?
The InChIKey is FNCAAVYRXYMVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrO/c1-10-6-5-7-11(14)12(10)13(15)8-3-2-4-9-13/h5-7,15H,2-4,8-9H2,1H3.
What are the key properties of 1-(2-bromo-6-methylphenyl)cyclohexan-1-ol?
1-(2-bromo-6-methylphenyl)cyclohexan-1-ol has a molecular weight of 269.18 g/mol, XLogP of 3.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-methylphenyl)cyclohexan-1-ol is sourced from PubChem (CID 117104241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).