2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)propan-2-ol

C15H13Cl3O — CID 65145380

IUPAC2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)propan-2-ol
SMILESCC(O)(Cc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C15H13Cl3O/c1-15(19,11-3-5-12(16)6-4-11)9-10-2-7-13(17)14(18)8-10/h2-8,19H,9H2,1H3
InChIKeyXCYRNTMUEKBXCO-UHFFFAOYSA-N
MW315.63 g/mol
LogP5.10
Rot. Bonds3

About 2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)propan-2-ol

2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)propan-2-ol (PubChem CID 65145380) has the molecular formula C15H13Cl3O and a molecular weight of 315.63 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)propan-2-ol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)propan-2-ol
PubChem CID65145380
Molecular FormulaC15H13Cl3O
Molecular Weight315.63 g/mol
Exact Mass314.00
IUPAC Name2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)propan-2-ol
SMILESCC(O)(Cc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C15H13Cl3O/c1-15(19,11-3-5-12(16)6-4-11)9-10-2-7-13(17)14(18)8-10/h2-8,19H,9H2,1H3
InChIKeyXCYRNTMUEKBXCO-UHFFFAOYSA-N
XLogP5.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.63
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2-(2-chlorophenyl)-1-(3,4-dichlorophenyl)propan-2-ol
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2-(4-chlorophenyl)-1-(3-methylphenyl)propan-2-ol
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3-(3,4-dichlorophenyl)-2-hydroxy-2-methylpropanal
CID 66039817
1-(3,4-dichlorophenyl)-2-methyl-3-phenylpropan-2-ol
CID 63012421
3-(3,4-dichlorophenyl)-2,2-dimethylpropanal
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2-(4-chlorophenyl)pentan-2-ol
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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)propan-2-ol?
The IUPAC name of 2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)propan-2-ol (CID 65145380) is 2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)propan-2-ol.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)propan-2-ol?
The canonical SMILES for 2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)propan-2-ol is CC(O)(Cc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)propan-2-ol?
The InChIKey is XCYRNTMUEKBXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl3O/c1-15(19,11-3-5-12(16)6-4-11)9-10-2-7-13(17)14(18)8-10/h2-8,19H,9H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)propan-2-ol?
2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)propan-2-ol has a molecular weight of 315.63 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)propan-2-ol is sourced from PubChem (CID 65145380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).