1-(3-bromo-2-chlorophenyl)-4-methylpentan-1-ol

C12H16BrClO — CID 115783703

IUPAC1-(3-bromo-2-chlorophenyl)-4-methylpentan-1-ol
SMILESCC(C)CCC(O)c1cccc(Br)c1Cl
InChIInChI=1S/C12H16BrClO/c1-8(2)6-7-11(15)9-4-3-5-10(13)12(9)14/h3-5,8,11,15H,6-7H2,1-2H3
InChIKeyZSRGVPCJDBIQMX-UHFFFAOYSA-N
MW291.62 g/mol
LogP4.57
Rot. Bonds4

About 1-(3-bromo-2-chlorophenyl)-4-methylpentan-1-ol

1-(3-bromo-2-chlorophenyl)-4-methylpentan-1-ol (PubChem CID 115783703) has the molecular formula C12H16BrClO and a molecular weight of 291.62 g/mol. Its IUPAC name is 1-(3-bromo-2-chlorophenyl)-4-methylpentan-1-ol.

Molecular Properties

Compound Name1-(3-bromo-2-chlorophenyl)-4-methylpentan-1-ol
PubChem CID115783703
Molecular FormulaC12H16BrClO
Molecular Weight291.62 g/mol
Exact Mass290.01
IUPAC Name1-(3-bromo-2-chlorophenyl)-4-methylpentan-1-ol
SMILESCC(C)CCC(O)c1cccc(Br)c1Cl
InChIInChI=1S/C12H16BrClO/c1-8(2)6-7-11(15)9-4-3-5-10(13)12(9)14/h3-5,8,11,15H,6-7H2,1-2H3
InChIKeyZSRGVPCJDBIQMX-UHFFFAOYSA-N
XLogP4.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.62
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(4-bromonaphthalen-1-yl)-4-methylpentan-1-ol
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1-(3-bromo-2-chlorophenyl)-2-(2-methyltetrazol-5-yl)ethanol
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1-(3-bromo-2-chlorophenyl)-2-(3-bromo-5-fluorophenyl)ethanol
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1-(3-bromo-2-chlorophenyl)-2-(3-bromo-2,6-difluorophenyl)ethanol
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1-(2,3-dichlorophenyl)-3-methylbutan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-chlorophenyl)-4-methylpentan-1-ol?
The IUPAC name of 1-(3-bromo-2-chlorophenyl)-4-methylpentan-1-ol (CID 115783703) is 1-(3-bromo-2-chlorophenyl)-4-methylpentan-1-ol.
What is the SMILES notation for 1-(3-bromo-2-chlorophenyl)-4-methylpentan-1-ol?
The canonical SMILES for 1-(3-bromo-2-chlorophenyl)-4-methylpentan-1-ol is CC(C)CCC(O)c1cccc(Br)c1Cl.
What is the InChIKey of 1-(3-bromo-2-chlorophenyl)-4-methylpentan-1-ol?
The InChIKey is ZSRGVPCJDBIQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClO/c1-8(2)6-7-11(15)9-4-3-5-10(13)12(9)14/h3-5,8,11,15H,6-7H2,1-2H3.
What are the key properties of 1-(3-bromo-2-chlorophenyl)-4-methylpentan-1-ol?
1-(3-bromo-2-chlorophenyl)-4-methylpentan-1-ol has a molecular weight of 291.62 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-chlorophenyl)-4-methylpentan-1-ol is sourced from PubChem (CID 115783703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).