(3-bromo-4-methoxyphenyl)-(4-methylcyclohexyl)methanol

C15H21BrO2 — CID 64749368

IUPAC(3-bromo-4-methoxyphenyl)-(4-methylcyclohexyl)methanol
SMILESCOc1ccc(C(O)C2CCC(C)CC2)cc1Br
InChIInChI=1S/C15H21BrO2/c1-10-3-5-11(6-4-10)15(17)12-7-8-14(18-2)13(16)9-12/h7-11,15,17H,3-6H2,1-2H3
InChIKeyCQBGPULDKWGOOI-UHFFFAOYSA-N
MW313.24 g/mol
LogP4.32
Rot. Bonds3

About (3-bromo-4-methoxyphenyl)-(4-methylcyclohexyl)methanol

(3-bromo-4-methoxyphenyl)-(4-methylcyclohexyl)methanol (PubChem CID 64749368) has the molecular formula C15H21BrO2 and a molecular weight of 313.24 g/mol. Its IUPAC name is (3-bromo-4-methoxyphenyl)-(4-methylcyclohexyl)methanol.

Molecular Properties

Compound Name(3-bromo-4-methoxyphenyl)-(4-methylcyclohexyl)methanol
PubChem CID64749368
Molecular FormulaC15H21BrO2
Molecular Weight313.24 g/mol
Exact Mass312.07
IUPAC Name(3-bromo-4-methoxyphenyl)-(4-methylcyclohexyl)methanol
SMILESCOc1ccc(C(O)C2CCC(C)CC2)cc1Br
InChIInChI=1S/C15H21BrO2/c1-10-3-5-11(6-4-10)15(17)12-7-8-14(18-2)13(16)9-12/h7-11,15,17H,3-6H2,1-2H3
InChIKeyCQBGPULDKWGOOI-UHFFFAOYSA-N
XLogP4.32
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 ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 63428449
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(3-tert-butyl-4-methoxyphenyl)-cyclopropylmethanol
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2-(3-bromo-4-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol
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(S)-(3-bromo-4-methoxyphenyl)-cyclohexylmethanamine
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2-(3-bromo-4-methoxyphenyl)-2-cyclopropylethanamine
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(3-bromo-4-methoxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
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(1S)-1-(3-bromo-4-methoxyphenyl)ethane-1,2-diol
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N-[1-(3-bromo-4-methoxyphenyl)ethyl]-4-methylcycloheptan-1-amine
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Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methoxyphenyl)-(4-methylcyclohexyl)methanol?
The IUPAC name of (3-bromo-4-methoxyphenyl)-(4-methylcyclohexyl)methanol (CID 64749368) is (3-bromo-4-methoxyphenyl)-(4-methylcyclohexyl)methanol.
What is the SMILES notation for (3-bromo-4-methoxyphenyl)-(4-methylcyclohexyl)methanol?
The canonical SMILES for (3-bromo-4-methoxyphenyl)-(4-methylcyclohexyl)methanol is COc1ccc(C(O)C2CCC(C)CC2)cc1Br.
What is the InChIKey of (3-bromo-4-methoxyphenyl)-(4-methylcyclohexyl)methanol?
The InChIKey is CQBGPULDKWGOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrO2/c1-10-3-5-11(6-4-10)15(17)12-7-8-14(18-2)13(16)9-12/h7-11,15,17H,3-6H2,1-2H3.
What are the key properties of (3-bromo-4-methoxyphenyl)-(4-methylcyclohexyl)methanol?
(3-bromo-4-methoxyphenyl)-(4-methylcyclohexyl)methanol has a molecular weight of 313.24 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methoxyphenyl)-(4-methylcyclohexyl)methanol is sourced from PubChem (CID 64749368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).