2-(3-bromo-4-methoxyphenyl)-1-(3-ethylcyclohexyl)ethanol

C17H25BrO2 — CID 65400931

IUPAC2-(3-bromo-4-methoxyphenyl)-1-(3-ethylcyclohexyl)ethanol
SMILESCCC1CCCC(C(O)Cc2ccc(OC)c(Br)c2)C1
InChIInChI=1S/C17H25BrO2/c1-3-12-5-4-6-14(9-12)16(19)11-13-7-8-17(20-2)15(18)10-13/h7-8,10,12,14,16,19H,3-6,9,11H2,1-2H3
InChIKeyKENGWSPOBUBDSW-UHFFFAOYSA-N
MW341.29 g/mol
LogP4.58
Rot. Bonds5

About 2-(3-bromo-4-methoxyphenyl)-1-(3-ethylcyclohexyl)ethanol

2-(3-bromo-4-methoxyphenyl)-1-(3-ethylcyclohexyl)ethanol (PubChem CID 65400931) has the molecular formula C17H25BrO2 and a molecular weight of 341.29 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxyphenyl)-1-(3-ethylcyclohexyl)ethanol.

Molecular Properties

Compound Name2-(3-bromo-4-methoxyphenyl)-1-(3-ethylcyclohexyl)ethanol
PubChem CID65400931
Molecular FormulaC17H25BrO2
Molecular Weight341.29 g/mol
Exact Mass340.10
IUPAC Name2-(3-bromo-4-methoxyphenyl)-1-(3-ethylcyclohexyl)ethanol
SMILESCCC1CCCC(C(O)Cc2ccc(OC)c(Br)c2)C1
InChIInChI=1S/C17H25BrO2/c1-3-12-5-4-6-14(9-12)16(19)11-13-7-8-17(20-2)15(18)10-13/h7-8,10,12,14,16,19H,3-6,9,11H2,1-2H3
InChIKeyKENGWSPOBUBDSW-UHFFFAOYSA-N
XLogP4.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-4-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol
CID 65401348
1-(3-ethylcyclohexyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 65401725
N-[(3-bromo-4-methoxyphenyl)methyl]-3-ethylcyclohexan-1-amine
CID 64743158
2-(3-bromo-4-methoxyphenyl)-1-cyclobutylethanamine
CID 64986507
2-(3-bromo-4-methoxyphenyl)-1-(5-methyloxolan-3-yl)ethanol
CID 115779418
1-(3-bromo-4-methoxyphenyl)-3-cyclopentyl-N-ethylpropan-2-amine
CID 115817876
2-(2,3-dihydro-1H-inden-5-yl)-1-(3-ethylcyclopentyl)ethanol
CID 65409563
(3-chloro-4-methoxyphenyl)-(3-ethylcyclohexyl)methanol
CID 65026921
N-[2-(3-bromo-4-methoxyphenyl)-1-cyclopentylethyl]propan-1-amine
CID 63417125
[2-(3-bromo-4-methoxyphenyl)-1-cyclopropylethyl]hydrazine
CID 105202342
1-cycloheptyl-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 65399384
2-(3-bromo-4-fluorophenyl)-1-(4-ethylcyclohexyl)ethanol
CID 65395171

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxyphenyl)-1-(3-ethylcyclohexyl)ethanol?
The IUPAC name of 2-(3-bromo-4-methoxyphenyl)-1-(3-ethylcyclohexyl)ethanol (CID 65400931) is 2-(3-bromo-4-methoxyphenyl)-1-(3-ethylcyclohexyl)ethanol.
What is the SMILES notation for 2-(3-bromo-4-methoxyphenyl)-1-(3-ethylcyclohexyl)ethanol?
The canonical SMILES for 2-(3-bromo-4-methoxyphenyl)-1-(3-ethylcyclohexyl)ethanol is CCC1CCCC(C(O)Cc2ccc(OC)c(Br)c2)C1.
What is the InChIKey of 2-(3-bromo-4-methoxyphenyl)-1-(3-ethylcyclohexyl)ethanol?
The InChIKey is KENGWSPOBUBDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrO2/c1-3-12-5-4-6-14(9-12)16(19)11-13-7-8-17(20-2)15(18)10-13/h7-8,10,12,14,16,19H,3-6,9,11H2,1-2H3.
What are the key properties of 2-(3-bromo-4-methoxyphenyl)-1-(3-ethylcyclohexyl)ethanol?
2-(3-bromo-4-methoxyphenyl)-1-(3-ethylcyclohexyl)ethanol has a molecular weight of 341.29 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methoxyphenyl)-1-(3-ethylcyclohexyl)ethanol is sourced from PubChem (CID 65400931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).