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

C15H21BrO2 — CID 115779517

IUPAC2-(3-bromo-4-methoxyphenyl)-1-(1-methylcyclopentyl)ethanol
SMILESCOc1ccc(CC(O)C2(C)CCCC2)cc1Br
InChIInChI=1S/C15H21BrO2/c1-15(7-3-4-8-15)14(17)10-11-5-6-13(18-2)12(16)9-11/h5-6,9,14,17H,3-4,7-8,10H2,1-2H3
InChIKeyUXSNZOMOPGQDMN-UHFFFAOYSA-N
MW313.24 g/mol
LogP3.94
Rot. Bonds4

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

2-(3-bromo-4-methoxyphenyl)-1-(1-methylcyclopentyl)ethanol (PubChem CID 115779517) has the molecular formula C15H21BrO2 and a molecular weight of 313.24 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxyphenyl)-1-(1-methylcyclopentyl)ethanol.

Molecular Properties

Compound Name2-(3-bromo-4-methoxyphenyl)-1-(1-methylcyclopentyl)ethanol
PubChem CID115779517
Molecular FormulaC15H21BrO2
Molecular Weight313.24 g/mol
Exact Mass312.07
IUPAC Name2-(3-bromo-4-methoxyphenyl)-1-(1-methylcyclopentyl)ethanol
SMILESCOc1ccc(CC(O)C2(C)CCCC2)cc1Br
InChIInChI=1S/C15H21BrO2/c1-15(7-3-4-8-15)14(17)10-11-5-6-13(18-2)12(16)9-11/h5-6,9,14,17H,3-4,7-8,10H2,1-2H3
InChIKeyUXSNZOMOPGQDMN-UHFFFAOYSA-N
XLogP3.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-4-methoxyphenyl)-1-(2-methylthiolan-2-yl)ethanol
CID 105082243
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CID 103560049
2-bromo-1-methoxy-4-(2-methylpropyl)benzene
CID 115044915
2-(3-bromo-4-methoxyphenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanamine
CID 115817865
1-(3-bromo-4-methoxyphenyl)-3,4-dimethylpentan-2-ol
CID 115779394
3-(3-bromo-4-methoxyphenyl)-1,1-diethoxypropan-2-ol
CID 79496145
1-(3-bromo-4-methoxyphenyl)-4-methoxy-4-methylpentan-2-ol
CID 103027436
2-(3,4-dimethoxyphenyl)-1-(1-methylcyclohexyl)ethanamine
CID 106827566
2-(3-bromo-4-methoxyphenyl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 115779535
2-[(3-bromo-4-methoxyphenyl)methyl]-3-methylbutan-1-ol
CID 66060269
3-(3-bromo-4-methoxyphenyl)-2-methylpropanethioamide
CID 83926107
2-(3-bromo-4-methoxyphenyl)-1-(5-bromothiophen-2-yl)ethanol
CID 63893838

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxyphenyl)-1-(1-methylcyclopentyl)ethanol?
The IUPAC name of 2-(3-bromo-4-methoxyphenyl)-1-(1-methylcyclopentyl)ethanol (CID 115779517) is 2-(3-bromo-4-methoxyphenyl)-1-(1-methylcyclopentyl)ethanol.
What is the SMILES notation for 2-(3-bromo-4-methoxyphenyl)-1-(1-methylcyclopentyl)ethanol?
The canonical SMILES for 2-(3-bromo-4-methoxyphenyl)-1-(1-methylcyclopentyl)ethanol is COc1ccc(CC(O)C2(C)CCCC2)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methoxyphenyl)-1-(1-methylcyclopentyl)ethanol?
The InChIKey is UXSNZOMOPGQDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrO2/c1-15(7-3-4-8-15)14(17)10-11-5-6-13(18-2)12(16)9-11/h5-6,9,14,17H,3-4,7-8,10H2,1-2H3.
What are the key properties of 2-(3-bromo-4-methoxyphenyl)-1-(1-methylcyclopentyl)ethanol?
2-(3-bromo-4-methoxyphenyl)-1-(1-methylcyclopentyl)ethanol has a molecular weight of 313.24 g/mol, XLogP of 3.94, 4 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-(1-methylcyclopentyl)ethanol is sourced from PubChem (CID 115779517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).