1-bromo-4,4,4-trichloro-2-(3-chlorophenyl)butan-2-ol

C10H9BrCl4O — CID 21406926

IUPAC1-bromo-4,4,4-trichloro-2-(3-chlorophenyl)butan-2-ol
SMILESOC(CBr)(CC(Cl)(Cl)Cl)c1cccc(Cl)c1
InChIInChI=1S/C10H9BrCl4O/c11-6-9(16,5-10(13,14)15)7-2-1-3-8(12)4-7/h1-4,16H,5-6H2
InChIKeyAXLHQWJACGXMCT-UHFFFAOYSA-N
MW366.90 g/mol
LogP4.68
Rot. Bonds3

About 1-bromo-4,4,4-trichloro-2-(3-chlorophenyl)butan-2-ol

1-bromo-4,4,4-trichloro-2-(3-chlorophenyl)butan-2-ol (PubChem CID 21406926) has the molecular formula C10H9BrCl4O and a molecular weight of 366.90 g/mol. Its IUPAC name is 1-bromo-4,4,4-trichloro-2-(3-chlorophenyl)butan-2-ol.

Molecular Properties

Compound Name1-bromo-4,4,4-trichloro-2-(3-chlorophenyl)butan-2-ol
PubChem CID21406926
Molecular FormulaC10H9BrCl4O
Molecular Weight366.90 g/mol
Exact Mass363.86
IUPAC Name1-bromo-4,4,4-trichloro-2-(3-chlorophenyl)butan-2-ol
SMILESOC(CBr)(CC(Cl)(Cl)Cl)c1cccc(Cl)c1
InChIInChI=1S/C10H9BrCl4O/c11-6-9(16,5-10(13,14)15)7-2-1-3-8(12)4-7/h1-4,16H,5-6H2
InChIKeyAXLHQWJACGXMCT-UHFFFAOYSA-N
XLogP4.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.90
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-bromo-4,4,4-trichloro-2-(3-chloro-5-fluorophenyl)butan-2-ol
CID 21406975
1-bromo-4,4,4-trichloro-2-(4-chloro-3,5-dimethylphenyl)butan-2-ol
CID 21406983
1-chloro-3-(1,2,3-tribromopropan-2-yl)benzene
CID 10960134
2-(3-chlorophenyl)-4,4-dimethylpentan-2-ol
CID 10585384
(2R)-2-(3-chlorophenyl)pentan-2-ol
CID 93299128
1-[1-bromo-2-(bromomethyl)-6-methylheptan-2-yl]-3-chlorobenzene
CID 83169386
1-chloro-3-(1,1-dibromoethyl)benzene
CID 15877621
(1S)-1-(3-chlorophenyl)-1-fluoroethanol
CID 175477647
1-[1-bromo-2-(bromomethyl)-3-methoxypropan-2-yl]-3-chlorobenzene
CID 103985355
2-(3-chlorophenyl)but-3-yn-2-ol
CID 64915364
3-(3-chlorophenyl)-3,3-difluoropropan-1-ol
CID 105459745
2-(3-chlorophenyl)hex-5-yn-2-ol
CID 63656673

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4,4,4-trichloro-2-(3-chlorophenyl)butan-2-ol?
The IUPAC name of 1-bromo-4,4,4-trichloro-2-(3-chlorophenyl)butan-2-ol (CID 21406926) is 1-bromo-4,4,4-trichloro-2-(3-chlorophenyl)butan-2-ol.
What is the SMILES notation for 1-bromo-4,4,4-trichloro-2-(3-chlorophenyl)butan-2-ol?
The canonical SMILES for 1-bromo-4,4,4-trichloro-2-(3-chlorophenyl)butan-2-ol is OC(CBr)(CC(Cl)(Cl)Cl)c1cccc(Cl)c1.
What is the InChIKey of 1-bromo-4,4,4-trichloro-2-(3-chlorophenyl)butan-2-ol?
The InChIKey is AXLHQWJACGXMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrCl4O/c11-6-9(16,5-10(13,14)15)7-2-1-3-8(12)4-7/h1-4,16H,5-6H2.
What are the key properties of 1-bromo-4,4,4-trichloro-2-(3-chlorophenyl)butan-2-ol?
1-bromo-4,4,4-trichloro-2-(3-chlorophenyl)butan-2-ol has a molecular weight of 366.90 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4,4,4-trichloro-2-(3-chlorophenyl)butan-2-ol is sourced from PubChem (CID 21406926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).