1-(4-bromo-2-methylphenyl)-2-cyclopentylethanol

C14H19BrO — CID 115789681

IUPAC1-(4-bromo-2-methylphenyl)-2-cyclopentylethanol
SMILESCc1cc(Br)ccc1C(O)CC1CCCC1
InChIInChI=1S/C14H19BrO/c1-10-8-12(15)6-7-13(10)14(16)9-11-4-2-3-5-11/h6-8,11,14,16H,2-5,9H2,1H3
InChIKeyKKSXDQBBCUBRLB-UHFFFAOYSA-N
MW283.21 g/mol
LogP4.37
Rot. Bonds3

About 1-(4-bromo-2-methylphenyl)-2-cyclopentylethanol

1-(4-bromo-2-methylphenyl)-2-cyclopentylethanol (PubChem CID 115789681) has the molecular formula C14H19BrO and a molecular weight of 283.21 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)-2-cyclopentylethanol.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)-2-cyclopentylethanol
PubChem CID115789681
Molecular FormulaC14H19BrO
Molecular Weight283.21 g/mol
Exact Mass282.06
IUPAC Name1-(4-bromo-2-methylphenyl)-2-cyclopentylethanol
SMILESCc1cc(Br)ccc1C(O)CC1CCCC1
InChIInChI=1S/C14H19BrO/c1-10-8-12(15)6-7-13(10)14(16)9-11-4-2-3-5-11/h6-8,11,14,16H,2-5,9H2,1H3
InChIKeyKKSXDQBBCUBRLB-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

1-(4-bromo-2-methylphenyl)-2-cyclopentylethanamine
CID 115847235
1-(5-bromo-2-methylphenyl)-2-cyclopropylethanol
CID 115803918
1-(4-bromo-2,5-dimethylphenyl)-2-cycloheptylethanol
CID 114458586
(4-bromo-2-methylphenyl)-(3-ethylcyclohexyl)methanol
CID 115808444
1-(4-bromo-3-methylphenyl)-2-cyclohexylethanol
CID 81447995
1-(3-bromo-2-methylphenyl)-2-cyclopentylethanol
CID 115789811
2-cyclopentyl-1-(5-fluoro-2-methylphenyl)ethanol
CID 62608273
2-cyclopentyl-1-(2,3-dimethylphenyl)ethanol
CID 65148302
1-(5-bromo-2-methylphenyl)-2-cyclohexylethanamine
CID 115842257
1-(2-bromo-4-methoxyphenyl)-2-cyclobutylethanol
CID 103165431
1-(5-chloro-2-methylphenyl)-2-cyclobutylethanol
CID 115802584
2-cyclobutyl-1-(4,5-dimethoxy-2-methylphenyl)ethanol
CID 103165429

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)-2-cyclopentylethanol?
The IUPAC name of 1-(4-bromo-2-methylphenyl)-2-cyclopentylethanol (CID 115789681) is 1-(4-bromo-2-methylphenyl)-2-cyclopentylethanol.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)-2-cyclopentylethanol?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)-2-cyclopentylethanol is Cc1cc(Br)ccc1C(O)CC1CCCC1.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)-2-cyclopentylethanol?
The InChIKey is KKSXDQBBCUBRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO/c1-10-8-12(15)6-7-13(10)14(16)9-11-4-2-3-5-11/h6-8,11,14,16H,2-5,9H2,1H3.
What are the key properties of 1-(4-bromo-2-methylphenyl)-2-cyclopentylethanol?
1-(4-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-(4-bromo-2-methylphenyl)-2-cyclopentylethanol is sourced from PubChem (CID 115789681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).