2-(2-bromo-5-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol

C15H21BrO2 — CID 65401737

IUPAC2-(2-bromo-5-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol
SMILESCOc1ccc(Br)c(CC(O)C2CCC(C)C2)c1
InChIInChI=1S/C15H21BrO2/c1-10-3-4-11(7-10)15(17)9-12-8-13(18-2)5-6-14(12)16/h5-6,8,10-11,15,17H,3-4,7,9H2,1-2H3
InChIKeyQKOHNBPVVWGUDM-UHFFFAOYSA-N
MW313.24 g/mol
LogP3.80
Rot. Bonds4

About 2-(2-bromo-5-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol

2-(2-bromo-5-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol (PubChem CID 65401737) has the molecular formula C15H21BrO2 and a molecular weight of 313.24 g/mol. Its IUPAC name is 2-(2-bromo-5-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol.

Molecular Properties

Compound Name2-(2-bromo-5-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol
PubChem CID65401737
Molecular FormulaC15H21BrO2
Molecular Weight313.24 g/mol
Exact Mass312.07
IUPAC Name2-(2-bromo-5-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol
SMILESCOc1ccc(Br)c(CC(O)C2CCC(C)C2)c1
InChIInChI=1S/C15H21BrO2/c1-10-3-4-11(7-10)15(17)9-12-8-13(18-2)5-6-14(12)16/h5-6,8,10-11,15,17H,3-4,7,9H2,1-2H3
InChIKeyQKOHNBPVVWGUDM-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-(2-bromo-5-methoxyphenyl)-1-(oxolan-3-yl)ethanol
CID 65327756
2-(3-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol
CID 65400147
2-(5-bromo-2-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol
CID 65401347
2-(2-bromo-5-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol
CID 115801475
2-(2-bromophenyl)-1-(3-methylcyclohexyl)ethanol
CID 55187545
2-(3-bromo-4-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol
CID 65401348
1-(2-bromo-5-methoxyphenyl)-3-cyclopropylbutan-2-amine
CID 115862327
2-[(2-bromo-5-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine
CID 65323362
2-(3-bromo-4-fluorophenyl)-1-(3-methylcyclopentyl)ethanol
CID 65401565
1-(2-bromo-5-methoxyphenyl)-3-methylbutan-2-ol
CID 65328089
3-(2-bromo-5-methoxyphenyl)-2-cyclopentyl-N-methylpropan-1-amine
CID 112569796
1-(2-bromo-5-methoxyphenyl)-3-cyclopropylbutan-2-one
CID 114973628

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol?
The IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol (CID 65401737) is 2-(2-bromo-5-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol.
What is the SMILES notation for 2-(2-bromo-5-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol?
The canonical SMILES for 2-(2-bromo-5-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol is COc1ccc(Br)c(CC(O)C2CCC(C)C2)c1.
What is the InChIKey of 2-(2-bromo-5-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol?
The InChIKey is QKOHNBPVVWGUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrO2/c1-10-3-4-11(7-10)15(17)9-12-8-13(18-2)5-6-14(12)16/h5-6,8,10-11,15,17H,3-4,7,9H2,1-2H3.
What are the key properties of 2-(2-bromo-5-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol?
2-(2-bromo-5-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-(2-bromo-5-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol is sourced from PubChem (CID 65401737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).