1-chloro-2-(4-chloro-2-fluorophenyl)-3-(3-chlorophenyl)propan-2-ol

C15H12Cl3FO — CID 68777487

IUPAC1-chloro-2-(4-chloro-2-fluorophenyl)-3-(3-chlorophenyl)propan-2-ol
SMILESOC(CCl)(Cc1cccc(Cl)c1)c1ccc(Cl)cc1F
InChIInChI=1S/C15H12Cl3FO/c16-9-15(20,8-10-2-1-3-11(17)6-10)13-5-4-12(18)7-14(13)19/h1-7,20H,8-9H2
InChIKeyZWSXUFJSVOTHTB-UHFFFAOYSA-N
MW333.62 g/mol
LogP4.80
Rot. Bonds4

About 1-chloro-2-(4-chloro-2-fluorophenyl)-3-(3-chlorophenyl)propan-2-ol

1-chloro-2-(4-chloro-2-fluorophenyl)-3-(3-chlorophenyl)propan-2-ol (PubChem CID 68777487) has the molecular formula C15H12Cl3FO and a molecular weight of 333.62 g/mol. Its IUPAC name is 1-chloro-2-(4-chloro-2-fluorophenyl)-3-(3-chlorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-chloro-2-(4-chloro-2-fluorophenyl)-3-(3-chlorophenyl)propan-2-ol
PubChem CID68777487
Molecular FormulaC15H12Cl3FO
Molecular Weight333.62 g/mol
Exact Mass331.99
IUPAC Name1-chloro-2-(4-chloro-2-fluorophenyl)-3-(3-chlorophenyl)propan-2-ol
SMILESOC(CCl)(Cc1cccc(Cl)c1)c1ccc(Cl)cc1F
InChIInChI=1S/C15H12Cl3FO/c16-9-15(20,8-10-2-1-3-11(17)6-10)13-5-4-12(18)7-14(13)19/h1-7,20H,8-9H2
InChIKeyZWSXUFJSVOTHTB-UHFFFAOYSA-N
XLogP4.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.62
LogP ≤ 54.80
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-(3-chlorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol
CID 63407265
1-chloro-3-[3-chloro-2-(chloromethyl)-2-(4-fluorophenyl)propyl]benzene
CID 79453395
1-[2-benzyl-3-chloro-2-(chloromethyl)propyl]-3-chlorobenzene
CID 79448029
1-chloro-3-(2,2,2-tribromoethyl)benzene
CID 54491677
1-(3-chlorophenyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol
CID 112585919
2-(3-chlorophenyl)-1-(3,4-difluorophenyl)propan-2-ol
CID 82919978
1,3-bis[4-[(3-chlorophenyl)methyl]-1,2,4-triazol-4-ium-1-yl]-2-(2,4-difluorophenyl)propan-2-ol dichloride
CID 54771605
2-(4-chloro-2-fluorophenyl)-1-(4-fluorophenyl)propan-2-ol
CID 114833204
2-(4-chloro-2-fluorophenyl)-3,3-dimethylbutan-2-ol
CID 115401188
2-(3-chlorophenyl)-1-(3,4-difluorophenyl)ethanol
CID 60797621
1-(3-chlorophenyl)-2-cyclopropylpropan-2-ol
CID 60798785
1-(3-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine
CID 114834017

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(4-chloro-2-fluorophenyl)-3-(3-chlorophenyl)propan-2-ol?
The IUPAC name of 1-chloro-2-(4-chloro-2-fluorophenyl)-3-(3-chlorophenyl)propan-2-ol (CID 68777487) is 1-chloro-2-(4-chloro-2-fluorophenyl)-3-(3-chlorophenyl)propan-2-ol.
What is the SMILES notation for 1-chloro-2-(4-chloro-2-fluorophenyl)-3-(3-chlorophenyl)propan-2-ol?
The canonical SMILES for 1-chloro-2-(4-chloro-2-fluorophenyl)-3-(3-chlorophenyl)propan-2-ol is OC(CCl)(Cc1cccc(Cl)c1)c1ccc(Cl)cc1F.
What is the InChIKey of 1-chloro-2-(4-chloro-2-fluorophenyl)-3-(3-chlorophenyl)propan-2-ol?
The InChIKey is ZWSXUFJSVOTHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl3FO/c16-9-15(20,8-10-2-1-3-11(17)6-10)13-5-4-12(18)7-14(13)19/h1-7,20H,8-9H2.
What are the key properties of 1-chloro-2-(4-chloro-2-fluorophenyl)-3-(3-chlorophenyl)propan-2-ol?
1-chloro-2-(4-chloro-2-fluorophenyl)-3-(3-chlorophenyl)propan-2-ol has a molecular weight of 333.62 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(4-chloro-2-fluorophenyl)-3-(3-chlorophenyl)propan-2-ol is sourced from PubChem (CID 68777487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).