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

C15H12Cl4O — CID 63410533

IUPAC1,3-bis(2,4-dichlorophenyl)propan-2-ol
SMILESOC(Cc1ccc(Cl)cc1Cl)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H12Cl4O/c16-11-3-1-9(14(18)7-11)5-13(20)6-10-2-4-12(17)8-15(10)19/h1-4,7-8,13,20H,5-6H2
InChIKeyDUXFTAFWIWCANE-UHFFFAOYSA-N
MW350.07 g/mol
LogP5.45
Rot. Bonds4

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

1,3-bis(2,4-dichlorophenyl)propan-2-ol (PubChem CID 63410533) has the molecular formula C15H12Cl4O and a molecular weight of 350.07 g/mol. Its IUPAC name is 1,3-bis(2,4-dichlorophenyl)propan-2-ol.

Molecular Properties

Compound Name1,3-bis(2,4-dichlorophenyl)propan-2-ol
PubChem CID63410533
Molecular FormulaC15H12Cl4O
Molecular Weight350.07 g/mol
Exact Mass347.96
IUPAC Name1,3-bis(2,4-dichlorophenyl)propan-2-ol
SMILESOC(Cc1ccc(Cl)cc1Cl)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H12Cl4O/c16-11-3-1-9(14(18)7-11)5-13(20)6-10-2-4-12(17)8-15(10)19/h1-4,7-8,13,20H,5-6H2
InChIKeyDUXFTAFWIWCANE-UHFFFAOYSA-N
XLogP5.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.07
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4-methylphenyl)-3-(2,4-dichlorophenyl)propan-2-ol
CID 106867255
1-(2,4-dichlorophenyl)butan-2-ol;methanol
CID 144705825
1-(2,4-dichlorophenyl)-3-(2-fluorophenyl)propan-2-ol
CID 60798841
1-(2,4-dichlorophenyl)pentan-2-ol
CID 60798287
1-(2,4-dichlorophenyl)-3-(3,4-difluorophenyl)propan-2-ol
CID 82920805
1-(2,4-dichlorophenyl)hex-5-yn-2-ol
CID 63657112
1-(3-bromophenyl)-3-(2,4-dichlorophenyl)propan-2-ol
CID 60798840
1-(2,4-dichlorophenyl)-3-(1,3-thiazol-2-yl)propan-2-ol
CID 79824781
1-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)propan-2-ol
CID 62605970
3-(2,4-dichlorophenyl)-1,1,1-trifluoropropan-2-ol
CID 62963527
1-(2,4-dichlorophenyl)-3-(1,3-thiazol-5-yl)propan-2-ol
CID 112642484
1-(2,4-dichlorophenyl)-3-(2-methoxy-5-methylphenyl)propan-2-ol
CID 62162037

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2,4-dichlorophenyl)propan-2-ol?
The IUPAC name of 1,3-bis(2,4-dichlorophenyl)propan-2-ol (CID 63410533) is 1,3-bis(2,4-dichlorophenyl)propan-2-ol.
What is the SMILES notation for 1,3-bis(2,4-dichlorophenyl)propan-2-ol?
The canonical SMILES for 1,3-bis(2,4-dichlorophenyl)propan-2-ol is OC(Cc1ccc(Cl)cc1Cl)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 1,3-bis(2,4-dichlorophenyl)propan-2-ol?
The InChIKey is DUXFTAFWIWCANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl4O/c16-11-3-1-9(14(18)7-11)5-13(20)6-10-2-4-12(17)8-15(10)19/h1-4,7-8,13,20H,5-6H2.
What are the key properties of 1,3-bis(2,4-dichlorophenyl)propan-2-ol?
1,3-bis(2,4-dichlorophenyl)propan-2-ol has a molecular weight of 350.07 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2,4-dichlorophenyl)propan-2-ol is sourced from PubChem (CID 63410533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).