1-(3-bromo-2-methylphenyl)-2-cyclopentylethanol

C14H19BrO — CID 115789811

IUPAC1-(3-bromo-2-methylphenyl)-2-cyclopentylethanol
SMILESCc1c(Br)cccc1C(O)CC1CCCC1
InChIInChI=1S/C14H19BrO/c1-10-12(7-4-8-13(10)15)14(16)9-11-5-2-3-6-11/h4,7-8,11,14,16H,2-3,5-6,9H2,1H3
InChIKeySFXDPFQABBMHPL-UHFFFAOYSA-N
MW283.21 g/mol
LogP4.37
Rot. Bonds3

About 1-(3-bromo-2-methylphenyl)-2-cyclopentylethanol

1-(3-bromo-2-methylphenyl)-2-cyclopentylethanol (PubChem CID 115789811) has the molecular formula C14H19BrO and a molecular weight of 283.21 g/mol. Its IUPAC name is 1-(3-bromo-2-methylphenyl)-2-cyclopentylethanol.

Molecular Properties

Compound Name1-(3-bromo-2-methylphenyl)-2-cyclopentylethanol
PubChem CID115789811
Molecular FormulaC14H19BrO
Molecular Weight283.21 g/mol
Exact Mass282.06
IUPAC Name1-(3-bromo-2-methylphenyl)-2-cyclopentylethanol
SMILESCc1c(Br)cccc1C(O)CC1CCCC1
InChIInChI=1S/C14H19BrO/c1-10-12(7-4-8-13(10)15)14(16)9-11-5-2-3-6-11/h4,7-8,11,14,16H,2-3,5-6,9H2,1H3
InChIKeySFXDPFQABBMHPL-UHFFFAOYSA-N
XLogP4.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclopentyl-1-(2,3-dimethylphenyl)ethanol
CID 65148302
1-(3-chloro-2-methylphenyl)-2-cyclopropylethanol
CID 107103370
1-(4-bromo-2-methylphenyl)-2-cyclopentylethanol
CID 115789681
1-(4-bromo-2,5-dimethylphenyl)-2-cycloheptylethanol
CID 114458586
N-[1-(3-bromo-2-methylphenyl)-2-cyclobutylethyl]propan-1-amine
CID 115863525
2-cyclopentyl-1-(2-ethylphenyl)ethanol
CID 65150347
1-(3-bromo-2-methylphenyl)-1-cyclohexyl-N-methylmethanamine
CID 114980961
2-cyclohexyl-1-(2-methylthiophen-3-yl)ethanol
CID 102829334
1-(3-bromo-2-methylphenyl)-3-methylpentan-1-ol
CID 115789330
1-(4-bromo-3-methylphenyl)-2-cyclohexylethanol
CID 81447995
1-(2-bromo-5-chlorophenyl)-2-cyclohexylethanol
CID 66156275
2-cyclobutyl-1-(2-fluorophenyl)ethanol
CID 65458117

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-methylphenyl)-2-cyclopentylethanol?
The IUPAC name of 1-(3-bromo-2-methylphenyl)-2-cyclopentylethanol (CID 115789811) is 1-(3-bromo-2-methylphenyl)-2-cyclopentylethanol.
What is the SMILES notation for 1-(3-bromo-2-methylphenyl)-2-cyclopentylethanol?
The canonical SMILES for 1-(3-bromo-2-methylphenyl)-2-cyclopentylethanol is Cc1c(Br)cccc1C(O)CC1CCCC1.
What is the InChIKey of 1-(3-bromo-2-methylphenyl)-2-cyclopentylethanol?
The InChIKey is SFXDPFQABBMHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO/c1-10-12(7-4-8-13(10)15)14(16)9-11-5-2-3-6-11/h4,7-8,11,14,16H,2-3,5-6,9H2,1H3.
What are the key properties of 1-(3-bromo-2-methylphenyl)-2-cyclopentylethanol?
1-(3-bromo-2-methylphenyl)-2-cyclopentylethanol has a molecular weight of 283.21 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-methylphenyl)-2-cyclopentylethanol is sourced from PubChem (CID 115789811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).