1-(3-bromo-5-chloro-2-methoxyphenyl)-2-cyclopentylethanol

C14H18BrClO2 — CID 61100159

IUPAC1-(3-bromo-5-chloro-2-methoxyphenyl)-2-cyclopentylethanol
SMILESCOc1c(Br)cc(Cl)cc1C(O)CC1CCCC1
InChIInChI=1S/C14H18BrClO2/c1-18-14-11(7-10(16)8-12(14)15)13(17)6-9-4-2-3-5-9/h7-9,13,17H,2-6H2,1H3
InChIKeyKGOPVPSZFUYYTH-UHFFFAOYSA-N
MW333.65 g/mol
LogP4.72
Rot. Bonds4

About 1-(3-bromo-5-chloro-2-methoxyphenyl)-2-cyclopentylethanol

1-(3-bromo-5-chloro-2-methoxyphenyl)-2-cyclopentylethanol (PubChem CID 61100159) has the molecular formula C14H18BrClO2 and a molecular weight of 333.65 g/mol. Its IUPAC name is 1-(3-bromo-5-chloro-2-methoxyphenyl)-2-cyclopentylethanol.

Molecular Properties

Compound Name1-(3-bromo-5-chloro-2-methoxyphenyl)-2-cyclopentylethanol
PubChem CID61100159
Molecular FormulaC14H18BrClO2
Molecular Weight333.65 g/mol
Exact Mass332.02
IUPAC Name1-(3-bromo-5-chloro-2-methoxyphenyl)-2-cyclopentylethanol
SMILESCOc1c(Br)cc(Cl)cc1C(O)CC1CCCC1
InChIInChI=1S/C14H18BrClO2/c1-18-14-11(7-10(16)8-12(14)15)13(17)6-9-4-2-3-5-9/h7-9,13,17H,2-6H2,1H3
InChIKeyKGOPVPSZFUYYTH-UHFFFAOYSA-N
XLogP4.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.65
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-5-chloro-2-methoxyphenyl)-cyclopentylmethanol
CID 61100157
1-(3-bromo-5-chloro-2-methoxyphenyl)-2-cyclobutylethanamine
CID 103162683
1-(3-bromo-5-chloro-2-methoxyphenyl)pentan-1-ol
CID 61099300
1-(2-bromo-5-chlorophenyl)-2-cyclohexylethanol
CID 66156275
(3-bromo-5-chloro-2-methoxyphenyl)-(2-methylcyclopentyl)methanol
CID 107181484
N-[(3-bromo-5-chloro-2-methoxyphenyl)-cyclopentylmethyl]propan-1-amine
CID 43494075
1-(2-bromo-4-methoxyphenyl)-2-cyclobutylethanol
CID 103165431
1-(3-bromo-5-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)ethanol
CID 63427922
1-(3-bromo-5-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 63428538
1-(2-bromo-5-chlorophenyl)-2-cyclopropylethanol
CID 112630970
1-(3-bromo-5-chloro-2-methoxyphenyl)-2,2-difluoroethanol
CID 104632696
1-(6-chloro-1H-indazol-4-yl)-2-cyclohexylethanol
CID 121326010

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chloro-2-methoxyphenyl)-2-cyclopentylethanol?
The IUPAC name of 1-(3-bromo-5-chloro-2-methoxyphenyl)-2-cyclopentylethanol (CID 61100159) is 1-(3-bromo-5-chloro-2-methoxyphenyl)-2-cyclopentylethanol.
What is the SMILES notation for 1-(3-bromo-5-chloro-2-methoxyphenyl)-2-cyclopentylethanol?
The canonical SMILES for 1-(3-bromo-5-chloro-2-methoxyphenyl)-2-cyclopentylethanol is COc1c(Br)cc(Cl)cc1C(O)CC1CCCC1.
What is the InChIKey of 1-(3-bromo-5-chloro-2-methoxyphenyl)-2-cyclopentylethanol?
The InChIKey is KGOPVPSZFUYYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClO2/c1-18-14-11(7-10(16)8-12(14)15)13(17)6-9-4-2-3-5-9/h7-9,13,17H,2-6H2,1H3.
What are the key properties of 1-(3-bromo-5-chloro-2-methoxyphenyl)-2-cyclopentylethanol?
1-(3-bromo-5-chloro-2-methoxyphenyl)-2-cyclopentylethanol has a molecular weight of 333.65 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chloro-2-methoxyphenyl)-2-cyclopentylethanol is sourced from PubChem (CID 61100159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).