[5-bromo-2-(3,4-dimethylcyclohexyl)oxyphenyl]methanol

C15H21BrO2 — CID 64738178

IUPAC[5-bromo-2-(3,4-dimethylcyclohexyl)oxyphenyl]methanol
SMILESCC1CCC(Oc2ccc(Br)cc2CO)CC1C
InChIInChI=1S/C15H21BrO2/c1-10-3-5-14(7-11(10)2)18-15-6-4-13(16)8-12(15)9-17/h4,6,8,10-11,14,17H,3,5,7,9H2,1-2H3
InChIKeyWFMTXDXTPPBFTE-UHFFFAOYSA-N
MW313.24 g/mol
LogP4.14
Rot. Bonds3

About [5-bromo-2-(3,4-dimethylcyclohexyl)oxyphenyl]methanol

[5-bromo-2-(3,4-dimethylcyclohexyl)oxyphenyl]methanol (PubChem CID 64738178) has the molecular formula C15H21BrO2 and a molecular weight of 313.24 g/mol. Its IUPAC name is [5-bromo-2-(3,4-dimethylcyclohexyl)oxyphenyl]methanol.

Molecular Properties

Compound Name[5-bromo-2-(3,4-dimethylcyclohexyl)oxyphenyl]methanol
PubChem CID64738178
Molecular FormulaC15H21BrO2
Molecular Weight313.24 g/mol
Exact Mass312.07
IUPAC Name[5-bromo-2-(3,4-dimethylcyclohexyl)oxyphenyl]methanol
SMILESCC1CCC(Oc2ccc(Br)cc2CO)CC1C
InChIInChI=1S/C15H21BrO2/c1-10-3-5-14(7-11(10)2)18-15-6-4-13(16)8-12(15)9-17/h4,6,8,10-11,14,17H,3,5,7,9H2,1-2H3
InChIKeyWFMTXDXTPPBFTE-UHFFFAOYSA-N
XLogP4.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-bromo-2-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine
CID 64739355
[5-bromo-2-(3,5-dimethylcyclohexyl)oxyphenyl]methanol
CID 64735922
[2-(3,4-dimethylcyclohexyl)oxy-4-methoxyphenyl]methanol
CID 64739585
[5-bromo-2-(oxan-3-yloxy)phenyl]methanol
CID 107135040
4-bromo-1-(3,4-dimethylcyclohexyl)oxy-2-nitrobenzene
CID 64745600
2-(bromomethyl)-4-chloro-1-(3,4-dimethylcyclohexyl)oxybenzene
CID 64740768
1-(3,4-dimethylcyclohexyl)oxy-2-ethylbenzene
CID 64765860
2-[2-(3,4-dimethylcyclohexyl)oxyphenyl]acetic acid
CID 80742277
N-[[3-bromo-4-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine
CID 64737947
[2-bromo-4-(3,4-dimethylcyclohexyl)oxy-3-fluorophenyl]methanamine
CID 107532712
3-(4-bromo-2-ethylphenoxy)azetidine
CID 53409294
3-(5-bromo-2-cyclopropyloxyphenyl)-2-methylpropanoic acid
CID 117481881

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(3,4-dimethylcyclohexyl)oxyphenyl]methanol?
The IUPAC name of [5-bromo-2-(3,4-dimethylcyclohexyl)oxyphenyl]methanol (CID 64738178) is [5-bromo-2-(3,4-dimethylcyclohexyl)oxyphenyl]methanol.
What is the SMILES notation for [5-bromo-2-(3,4-dimethylcyclohexyl)oxyphenyl]methanol?
The canonical SMILES for [5-bromo-2-(3,4-dimethylcyclohexyl)oxyphenyl]methanol is CC1CCC(Oc2ccc(Br)cc2CO)CC1C.
What is the InChIKey of [5-bromo-2-(3,4-dimethylcyclohexyl)oxyphenyl]methanol?
The InChIKey is WFMTXDXTPPBFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrO2/c1-10-3-5-14(7-11(10)2)18-15-6-4-13(16)8-12(15)9-17/h4,6,8,10-11,14,17H,3,5,7,9H2,1-2H3.
What are the key properties of [5-bromo-2-(3,4-dimethylcyclohexyl)oxyphenyl]methanol?
[5-bromo-2-(3,4-dimethylcyclohexyl)oxyphenyl]methanol has a molecular weight of 313.24 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(3,4-dimethylcyclohexyl)oxyphenyl]methanol is sourced from PubChem (CID 64738178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).