(3-bromo-5-chloro-2-methoxyphenyl)-cyclopentylmethanol

C13H16BrClO2 — CID 61100157

IUPAC(3-bromo-5-chloro-2-methoxyphenyl)-cyclopentylmethanol
SMILESCOc1c(Br)cc(Cl)cc1C(O)C1CCCC1
InChIInChI=1S/C13H16BrClO2/c1-17-13-10(6-9(15)7-11(13)14)12(16)8-4-2-3-5-8/h6-8,12,16H,2-5H2,1H3
InChIKeyODTMVXVWSWLHQV-UHFFFAOYSA-N
MW319.63 g/mol
LogP4.33
Rot. Bonds3

About (3-bromo-5-chloro-2-methoxyphenyl)-cyclopentylmethanol

(3-bromo-5-chloro-2-methoxyphenyl)-cyclopentylmethanol (PubChem CID 61100157) has the molecular formula C13H16BrClO2 and a molecular weight of 319.63 g/mol. Its IUPAC name is (3-bromo-5-chloro-2-methoxyphenyl)-cyclopentylmethanol.

Molecular Properties

Compound Name(3-bromo-5-chloro-2-methoxyphenyl)-cyclopentylmethanol
PubChem CID61100157
Molecular FormulaC13H16BrClO2
Molecular Weight319.63 g/mol
Exact Mass318.00
IUPAC Name(3-bromo-5-chloro-2-methoxyphenyl)-cyclopentylmethanol
SMILESCOc1c(Br)cc(Cl)cc1C(O)C1CCCC1
InChIInChI=1S/C13H16BrClO2/c1-17-13-10(6-9(15)7-11(13)14)12(16)8-4-2-3-5-8/h6-8,12,16H,2-5H2,1H3
InChIKeyODTMVXVWSWLHQV-UHFFFAOYSA-N
XLogP4.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.63
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-5-chloro-2-methoxyphenyl)-2-cyclopentylethanol
CID 61100159
(3-bromo-5-chloro-2-methoxyphenyl)-(2-methylcyclopentyl)methanol
CID 107181484
(3-bromo-5-chloro-2-methoxyphenyl)-(2-methyloxolan-3-yl)methanol
CID 79763146
N-[(3-bromo-5-chloro-2-methoxyphenyl)-cyclopentylmethyl]propan-1-amine
CID 43494075
1-(3-bromo-5-chloro-2-methoxyphenyl)-2-cyclobutylethanamine
CID 103162683
1-(3-bromo-5-chloro-2-methoxyphenyl)-2,2-difluoroethanol
CID 104632696
(3-bromo-5-chloro-2-methoxyphenyl)-(2,4-dibromophenyl)methanol
CID 107955298
1-(3-bromo-5-chloro-2-methoxyphenyl)pentan-1-ol
CID 61099300
(5-chloro-2-methoxyphenyl)-cyclooctylmethanol
CID 80603904
(3-bromo-5-chloro-2-methoxyphenyl)-(4-chlorophenyl)methanol
CID 61099475
(4-bromo-2,5-dimethoxyphenyl)-cyclohexylmethanol
CID 105056972
N-(3-bromo-5-chloro-2-methoxyphenyl)cyclooctanamine
CID 43689268

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-chloro-2-methoxyphenyl)-cyclopentylmethanol?
The IUPAC name of (3-bromo-5-chloro-2-methoxyphenyl)-cyclopentylmethanol (CID 61100157) is (3-bromo-5-chloro-2-methoxyphenyl)-cyclopentylmethanol.
What is the SMILES notation for (3-bromo-5-chloro-2-methoxyphenyl)-cyclopentylmethanol?
The canonical SMILES for (3-bromo-5-chloro-2-methoxyphenyl)-cyclopentylmethanol is COc1c(Br)cc(Cl)cc1C(O)C1CCCC1.
What is the InChIKey of (3-bromo-5-chloro-2-methoxyphenyl)-cyclopentylmethanol?
The InChIKey is ODTMVXVWSWLHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClO2/c1-17-13-10(6-9(15)7-11(13)14)12(16)8-4-2-3-5-8/h6-8,12,16H,2-5H2,1H3.
What are the key properties of (3-bromo-5-chloro-2-methoxyphenyl)-cyclopentylmethanol?
(3-bromo-5-chloro-2-methoxyphenyl)-cyclopentylmethanol has a molecular weight of 319.63 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-chloro-2-methoxyphenyl)-cyclopentylmethanol is sourced from PubChem (CID 61100157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).