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

C15H12Cl2F2O — CID 107884225

IUPAC1-(2-chloro-4-fluorophenyl)-3-(4-chloro-3-fluorophenyl)propan-2-ol
SMILESOC(Cc1ccc(Cl)c(F)c1)Cc1ccc(F)cc1Cl
InChIInChI=1S/C15H12Cl2F2O/c16-13-4-1-9(6-15(13)19)5-12(20)7-10-2-3-11(18)8-14(10)17/h1-4,6,8,12,20H,5,7H2
InChIKeyBSDNBTDEQXRWND-UHFFFAOYSA-N
MW317.16 g/mol
LogP4.42
Rot. Bonds4

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

1-(2-chloro-4-fluorophenyl)-3-(4-chloro-3-fluorophenyl)propan-2-ol (PubChem CID 107884225) has the molecular formula C15H12Cl2F2O and a molecular weight of 317.16 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-3-(4-chloro-3-fluorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-3-(4-chloro-3-fluorophenyl)propan-2-ol
PubChem CID107884225
Molecular FormulaC15H12Cl2F2O
Molecular Weight317.16 g/mol
Exact Mass316.02
IUPAC Name1-(2-chloro-4-fluorophenyl)-3-(4-chloro-3-fluorophenyl)propan-2-ol
SMILESOC(Cc1ccc(Cl)c(F)c1)Cc1ccc(F)cc1Cl
InChIInChI=1S/C15H12Cl2F2O/c16-13-4-1-9(6-15(13)19)5-12(20)7-10-2-3-11(18)8-14(10)17/h1-4,6,8,12,20H,5,7H2
InChIKeyBSDNBTDEQXRWND-UHFFFAOYSA-N
XLogP4.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.16
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 63035603
1-(2,4-dichlorophenyl)-3-(3,4-difluorophenyl)propan-2-ol
CID 82920805
1-(3,4-dichlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-ol
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1-(2-bromo-4-fluorophenyl)-3-(3,4-dichlorophenyl)propan-2-ol
CID 63410897
1-(2,4-difluorophenyl)-3-(3,4-difluorophenyl)propan-2-ol
CID 82920034
1-(2-chloro-4-methylphenyl)-3-(4-fluorophenyl)propan-2-ol
CID 106867250
1-(2-chloro-4-fluorophenyl)-3-pyridin-3-ylpropan-2-ol
CID 62608464
1-(2-chloro-4-fluorophenyl)pentan-2-ol
CID 62607073
(2S)-1-(2-chloro-4-fluorophenyl)pentan-2-ol
CID 94505356
1-(2-chloro-5-fluorophenyl)-3-(4-methylphenyl)propan-2-ol
CID 102617916
1-tert-butylsulfanyl-3-(2-chloro-4-fluorophenyl)propan-2-ol
CID 65132928
1-(2-chloro-4-fluorophenyl)-3-phenylsulfanylpropan-2-ol
CID 65142299

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-3-(4-chloro-3-fluorophenyl)propan-2-ol?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-3-(4-chloro-3-fluorophenyl)propan-2-ol (CID 107884225) is 1-(2-chloro-4-fluorophenyl)-3-(4-chloro-3-fluorophenyl)propan-2-ol.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-3-(4-chloro-3-fluorophenyl)propan-2-ol?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-3-(4-chloro-3-fluorophenyl)propan-2-ol is OC(Cc1ccc(Cl)c(F)c1)Cc1ccc(F)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-3-(4-chloro-3-fluorophenyl)propan-2-ol?
The InChIKey is BSDNBTDEQXRWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2F2O/c16-13-4-1-9(6-15(13)19)5-12(20)7-10-2-3-11(18)8-14(10)17/h1-4,6,8,12,20H,5,7H2.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-3-(4-chloro-3-fluorophenyl)propan-2-ol?
1-(2-chloro-4-fluorophenyl)-3-(4-chloro-3-fluorophenyl)propan-2-ol has a molecular weight of 317.16 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-3-(4-chloro-3-fluorophenyl)propan-2-ol is sourced from PubChem (CID 107884225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).