1-(3-bromo-5-chloro-2-methoxyphenyl)-2-methylpentan-1-ol

C13H18BrClO2 — CID 61100674

IUPAC1-(3-bromo-5-chloro-2-methoxyphenyl)-2-methylpentan-1-ol
SMILESCCCC(C)C(O)c1cc(Cl)cc(Br)c1OC
InChIInChI=1S/C13H18BrClO2/c1-4-5-8(2)12(16)10-6-9(15)7-11(14)13(10)17-3/h6-8,12,16H,4-5H2,1-3H3
InChIKeyGXRUATCGVBWJGG-UHFFFAOYSA-N
MW321.64 g/mol
LogP4.58
Rot. Bonds5

About 1-(3-bromo-5-chloro-2-methoxyphenyl)-2-methylpentan-1-ol

1-(3-bromo-5-chloro-2-methoxyphenyl)-2-methylpentan-1-ol (PubChem CID 61100674) has the molecular formula C13H18BrClO2 and a molecular weight of 321.64 g/mol. Its IUPAC name is 1-(3-bromo-5-chloro-2-methoxyphenyl)-2-methylpentan-1-ol.

Molecular Properties

Compound Name1-(3-bromo-5-chloro-2-methoxyphenyl)-2-methylpentan-1-ol
PubChem CID61100674
Molecular FormulaC13H18BrClO2
Molecular Weight321.64 g/mol
Exact Mass320.02
IUPAC Name1-(3-bromo-5-chloro-2-methoxyphenyl)-2-methylpentan-1-ol
SMILESCCCC(C)C(O)c1cc(Cl)cc(Br)c1OC
InChIInChI=1S/C13H18BrClO2/c1-4-5-8(2)12(16)10-6-9(15)7-11(14)13(10)17-3/h6-8,12,16H,4-5H2,1-3H3
InChIKeyGXRUATCGVBWJGG-UHFFFAOYSA-N
XLogP4.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.64
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-5-chloro-2-methoxyphenyl)pentan-1-ol
CID 61099300
1-(3-bromo-5-chloro-2-methoxyphenyl)-2,2-difluoroethanol
CID 104632696
1-bromo-3-(1-bromo-2-methylhexyl)-5-chloro-2-methoxybenzene
CID 114246885
1-(4-bromo-5-chloro-2-fluorophenyl)-2-methylpentan-1-ol
CID 105399458
1-(3-bromo-5-chloro-2-methoxyphenyl)decan-1-amine
CID 65447812
(3-bromo-5-chloro-2-methoxyphenyl)-(4-chlorophenyl)methanol
CID 61099475
1-(3-bromo-5-chloro-2-methoxyphenyl)-N-methylethanamine
CID 43480286
(3-bromo-5-chloro-2-methoxyphenyl)-(2,4-dibromophenyl)methanol
CID 107955298
(3-bromo-5-chloro-2-methoxyphenyl)-cyclopentylmethanol
CID 61100157
1-(3-bromo-5-chloro-2-methoxyphenyl)-2-cyclopentylethanol
CID 61100159
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

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chloro-2-methoxyphenyl)-2-methylpentan-1-ol?
The IUPAC name of 1-(3-bromo-5-chloro-2-methoxyphenyl)-2-methylpentan-1-ol (CID 61100674) is 1-(3-bromo-5-chloro-2-methoxyphenyl)-2-methylpentan-1-ol.
What is the SMILES notation for 1-(3-bromo-5-chloro-2-methoxyphenyl)-2-methylpentan-1-ol?
The canonical SMILES for 1-(3-bromo-5-chloro-2-methoxyphenyl)-2-methylpentan-1-ol is CCCC(C)C(O)c1cc(Cl)cc(Br)c1OC.
What is the InChIKey of 1-(3-bromo-5-chloro-2-methoxyphenyl)-2-methylpentan-1-ol?
The InChIKey is GXRUATCGVBWJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrClO2/c1-4-5-8(2)12(16)10-6-9(15)7-11(14)13(10)17-3/h6-8,12,16H,4-5H2,1-3H3.
What are the key properties of 1-(3-bromo-5-chloro-2-methoxyphenyl)-2-methylpentan-1-ol?
1-(3-bromo-5-chloro-2-methoxyphenyl)-2-methylpentan-1-ol has a molecular weight of 321.64 g/mol, XLogP of 4.58, 5 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-methylpentan-1-ol is sourced from PubChem (CID 61100674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).