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

C15H21BrO2 — CID 65401347

IUPAC2-(5-bromo-2-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol
SMILESCOc1ccc(Br)cc1CC(O)C1CCC(C)C1
InChIInChI=1S/C15H21BrO2/c1-10-3-4-11(7-10)14(17)9-12-8-13(16)5-6-15(12)18-2/h5-6,8,10-11,14,17H,3-4,7,9H2,1-2H3
InChIKeySCFAGNHWAYJILU-UHFFFAOYSA-N
MW313.23 g/mol
LogP3.80
Rot. Bonds4

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

2-(5-bromo-2-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol (PubChem CID 65401347) has the molecular formula C15H21BrO2 and a molecular weight of 313.23 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol
PubChem CID65401347
Molecular FormulaC15H21BrO2
Molecular Weight313.23 g/mol
Exact Mass312.07
IUPAC Name2-(5-bromo-2-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol
SMILESCOc1ccc(Br)cc1CC(O)C1CCC(C)C1
InChIInChI=1S/C15H21BrO2/c1-10-3-4-11(7-10)14(17)9-12-8-13(16)5-6-15(12)18-2/h5-6,8,10-11,14,17H,3-4,7,9H2,1-2H3
InChIKeySCFAGNHWAYJILU-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 ≤ 500313.23
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-methoxyphenyl)-N-methyl-1-(3-methylcyclopentyl)ethanamine
CID 65413976
2-(3-bromo-4-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol
CID 65401348
2-(2-methoxy-5-methylphenyl)-1-(4-methylcyclohexyl)ethanol
CID 62159658
[2-(5-bromo-2-methoxyphenyl)-1-(4-methylcyclohexyl)ethyl]hydrazine
CID 105210614
1-(7-bicyclo[4.1.0]heptanyl)-2-(5-bromo-2-methoxyphenyl)ethanol
CID 115779325
2-(2-bromo-5-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol
CID 65401737
1-(5-bromo-2-methoxyphenyl)-3-cyclobutylpropan-2-ol
CID 103169906
2-(5-bromo-2-methoxyphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65423793
2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-1-cyclopropylethanol
CID 111858724
2-(2-methoxy-5-methylphenyl)-1-(3-methylcyclopentyl)ethanamine
CID 65413547
1-(3-bicyclo[3.1.0]hexanyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
CID 115817280
2-(5-bromo-2-methoxyphenyl)-1-(1,4-dioxan-2-yl)ethanol
CID 65350705

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol (CID 65401347) is 2-(5-bromo-2-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol is COc1ccc(Br)cc1CC(O)C1CCC(C)C1.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol?
The InChIKey is SCFAGNHWAYJILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrO2/c1-10-3-4-11(7-10)14(17)9-12-8-13(16)5-6-15(12)18-2/h5-6,8,10-11,14,17H,3-4,7,9H2,1-2H3.
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol?
2-(5-bromo-2-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol has a molecular weight of 313.23 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-(5-bromo-2-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol is sourced from PubChem (CID 65401347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).