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

C15H21BrO2 — CID 65401348

IUPAC2-(3-bromo-4-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol
SMILESCOc1ccc(CC(O)C2CCC(C)C2)cc1Br
InChIInChI=1S/C15H21BrO2/c1-10-3-5-12(7-10)14(17)9-11-4-6-15(18-2)13(16)8-11/h4,6,8,10,12,14,17H,3,5,7,9H2,1-2H3
InChIKeyZYOOVGUYPYISSH-UHFFFAOYSA-N
MW313.24 g/mol
LogP3.80
Rot. Bonds4

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

2-(3-bromo-4-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol (PubChem CID 65401348) has the molecular formula C15H21BrO2 and a molecular weight of 313.24 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol.

Molecular Properties

Compound Name2-(3-bromo-4-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol
PubChem CID65401348
Molecular FormulaC15H21BrO2
Molecular Weight313.24 g/mol
Exact Mass312.07
IUPAC Name2-(3-bromo-4-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol
SMILESCOc1ccc(CC(O)C2CCC(C)C2)cc1Br
InChIInChI=1S/C15H21BrO2/c1-10-3-5-12(7-10)14(17)9-11-4-6-15(18-2)13(16)8-11/h4,6,8,10,12,14,17H,3,5,7,9H2,1-2H3
InChIKeyZYOOVGUYPYISSH-UHFFFAOYSA-N
XLogP3.80
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 ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-4-fluorophenyl)-1-(3-methylcyclopentyl)ethanol
CID 65401565
2-(3-bromo-4-methoxyphenyl)-1-(3-ethylcyclohexyl)ethanol
CID 65400931
2-(3-bromo-4-methoxyphenyl)-1-(5-methyloxolan-3-yl)ethanol
CID 115779418
2-(5-bromo-2-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol
CID 65401347
2-(3-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol
CID 65400147
2-(2-bromo-5-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol
CID 65401737
[2-(3-bromo-4-methoxyphenyl)-1-cyclopropylethyl]hydrazine
CID 105202342
2-(4-fluorophenyl)-1-(3-methylcyclopentyl)ethanol
CID 65400541
2-(3-bromo-4-methoxyphenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethanol
CID 103345212
(3-bromo-4-methoxyphenyl)-(4-methylcyclohexyl)methanol
CID 64749368
2-(3-bromo-4-methoxyphenyl)-1-cyclobutylethanamine
CID 64986507
2-(3-bromo-4-methylphenyl)-1-cyclopropylethanol
CID 130608339

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol?
The IUPAC name of 2-(3-bromo-4-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol (CID 65401348) is 2-(3-bromo-4-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol.
What is the SMILES notation for 2-(3-bromo-4-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol?
The canonical SMILES for 2-(3-bromo-4-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol is COc1ccc(CC(O)C2CCC(C)C2)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol?
The InChIKey is ZYOOVGUYPYISSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrO2/c1-10-3-5-12(7-10)14(17)9-11-4-6-15(18-2)13(16)8-11/h4,6,8,10,12,14,17H,3,5,7,9H2,1-2H3.
What are the key properties of 2-(3-bromo-4-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol?
2-(3-bromo-4-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol has a molecular weight of 313.24 g/mol, XLogP of 3.80, 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-(3-methylcyclopentyl)ethanol is sourced from PubChem (CID 65401348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).