(3-bromo-5-chloro-2-methoxyphenyl)-(2-methylcyclopentyl)methanol

C14H18BrClO2 — CID 107181484

IUPAC(3-bromo-5-chloro-2-methoxyphenyl)-(2-methylcyclopentyl)methanol
SMILESCOc1c(Br)cc(Cl)cc1C(O)C1CCCC1C
InChIInChI=1S/C14H18BrClO2/c1-8-4-3-5-10(8)13(17)11-6-9(16)7-12(15)14(11)18-2/h6-8,10,13,17H,3-5H2,1-2H3
InChIKeyYBPGDPCUMMHLFM-UHFFFAOYSA-N
MW333.65 g/mol
LogP4.58
Rot. Bonds3

About (3-bromo-5-chloro-2-methoxyphenyl)-(2-methylcyclopentyl)methanol

(3-bromo-5-chloro-2-methoxyphenyl)-(2-methylcyclopentyl)methanol (PubChem CID 107181484) has the molecular formula C14H18BrClO2 and a molecular weight of 333.65 g/mol. Its IUPAC name is (3-bromo-5-chloro-2-methoxyphenyl)-(2-methylcyclopentyl)methanol.

Molecular Properties

Compound Name(3-bromo-5-chloro-2-methoxyphenyl)-(2-methylcyclopentyl)methanol
PubChem CID107181484
Molecular FormulaC14H18BrClO2
Molecular Weight333.65 g/mol
Exact Mass332.02
IUPAC Name(3-bromo-5-chloro-2-methoxyphenyl)-(2-methylcyclopentyl)methanol
SMILESCOc1c(Br)cc(Cl)cc1C(O)C1CCCC1C
InChIInChI=1S/C14H18BrClO2/c1-8-4-3-5-10(8)13(17)11-6-9(16)7-12(15)14(11)18-2/h6-8,10,13,17H,3-5H2,1-2H3
InChIKeyYBPGDPCUMMHLFM-UHFFFAOYSA-N
XLogP4.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.65
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-5-chloro-2-methoxyphenyl)-cyclopentylmethanol
CID 61100157
(3-bromo-5-chloro-2-methoxyphenyl)-(2-methyloxolan-3-yl)methanol
CID 79763146
1-(3-bromo-5-chloro-2-methoxyphenyl)-2-cyclopentylethanol
CID 61100159
1-(3-bromo-5-chloro-2-methoxyphenyl)-2-cyclobutylethanamine
CID 103162683
(4-methoxy-3,5-dimethylphenyl)-(2-methylcyclopentyl)methanol
CID 107181847
1-(3-bromo-5-chloro-2-methoxyphenyl)-2,2-difluoroethanol
CID 104632696
(3-bromo-5-chloro-2-methoxyphenyl)-(4-chlorophenyl)methanol
CID 61099475
(3-bromo-5-chloro-2-methoxyphenyl)-(2,4-dibromophenyl)methanol
CID 107955298
1-(3-bromo-5-chloro-2-methoxyphenyl)pentan-1-ol
CID 61099300
1-bromo-5-chloro-3-[chloro-(2,2-dimethylcyclopentyl)methyl]-2-methoxybenzene
CID 107181907
1-(3-bromo-5-chloro-2-methoxyphenyl)-N-methylethanamine
CID 43480286
N-[(3-bromo-5-chloro-2-methoxyphenyl)-cyclopentylmethyl]propan-1-amine
CID 43494075

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-chloro-2-methoxyphenyl)-(2-methylcyclopentyl)methanol?
The IUPAC name of (3-bromo-5-chloro-2-methoxyphenyl)-(2-methylcyclopentyl)methanol (CID 107181484) is (3-bromo-5-chloro-2-methoxyphenyl)-(2-methylcyclopentyl)methanol.
What is the SMILES notation for (3-bromo-5-chloro-2-methoxyphenyl)-(2-methylcyclopentyl)methanol?
The canonical SMILES for (3-bromo-5-chloro-2-methoxyphenyl)-(2-methylcyclopentyl)methanol is COc1c(Br)cc(Cl)cc1C(O)C1CCCC1C.
What is the InChIKey of (3-bromo-5-chloro-2-methoxyphenyl)-(2-methylcyclopentyl)methanol?
The InChIKey is YBPGDPCUMMHLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClO2/c1-8-4-3-5-10(8)13(17)11-6-9(16)7-12(15)14(11)18-2/h6-8,10,13,17H,3-5H2,1-2H3.
What are the key properties of (3-bromo-5-chloro-2-methoxyphenyl)-(2-methylcyclopentyl)methanol?
(3-bromo-5-chloro-2-methoxyphenyl)-(2-methylcyclopentyl)methanol has a molecular weight of 333.65 g/mol, XLogP of 4.58, 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)-(2-methylcyclopentyl)methanol is sourced from PubChem (CID 107181484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).