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

C15H12Cl2F2O — CID 103039694

IUPAC1-(3-chloro-2-fluorophenyl)-3-(3-chloro-4-fluorophenyl)propan-2-ol
SMILESOC(Cc1ccc(F)c(Cl)c1)Cc1cccc(Cl)c1F
InChIInChI=1S/C15H12Cl2F2O/c16-12-3-1-2-10(15(12)19)8-11(20)6-9-4-5-14(18)13(17)7-9/h1-5,7,11,20H,6,8H2
InChIKeyXJZRDMABVARGFJ-UHFFFAOYSA-N
MW317.16 g/mol
LogP4.42
Rot. Bonds4

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

1-(3-chloro-2-fluorophenyl)-3-(3-chloro-4-fluorophenyl)propan-2-ol (PubChem CID 103039694) has the molecular formula C15H12Cl2F2O and a molecular weight of 317.16 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-3-(3-chloro-4-fluorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-3-(3-chloro-4-fluorophenyl)propan-2-ol
PubChem CID103039694
Molecular FormulaC15H12Cl2F2O
Molecular Weight317.16 g/mol
Exact Mass316.02
IUPAC Name1-(3-chloro-2-fluorophenyl)-3-(3-chloro-4-fluorophenyl)propan-2-ol
SMILESOC(Cc1ccc(F)c(Cl)c1)Cc1cccc(Cl)c1F
InChIInChI=1S/C15H12Cl2F2O/c16-12-3-1-2-10(15(12)19)8-11(20)6-9-4-5-14(18)13(17)7-9/h1-5,7,11,20H,6,8H2
InChIKeyXJZRDMABVARGFJ-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-(3-chloro-2-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-ol
CID 82920732
1-(3-chloro-4-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-ol
CID 103039559
1-(3-chloro-2-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-ol
CID 82806467
1-(3-chloro-2-fluorophenyl)-3-(4-methylphenyl)propan-2-ol
CID 82803292
1-(3-chloro-2-fluorophenyl)-3-(3,5-dimethylphenyl)propan-2-ol
CID 82802408
1-(3-bromo-4-methoxyphenyl)-3-(3-chloro-2-fluorophenyl)propan-2-ol
CID 82788489
1-(3-chloro-2-fluorophenyl)-3-(2-methylphenyl)propan-2-ol
CID 82803418
1-(3-chloro-2-fluorophenyl)-3-(4-chlorophenoxy)propan-2-ol
CID 102867534
2-(3-chloro-4-fluorophenyl)-1-(2-chlorophenyl)ethanol
CID 103038949
1-(3-chloro-4-fluorophenyl)-4-methylpentan-2-ol
CID 103039007
1-(3-chloro-2-fluorophenyl)-4-methylpentan-2-ol
CID 82802177
1-(2-chloro-3-fluorophenyl)-3-(3,4-dimethylphenyl)propan-2-ol
CID 115983563

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-(3-chloro-4-fluorophenyl)propan-2-ol?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-(3-chloro-4-fluorophenyl)propan-2-ol (CID 103039694) is 1-(3-chloro-2-fluorophenyl)-3-(3-chloro-4-fluorophenyl)propan-2-ol.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-3-(3-chloro-4-fluorophenyl)propan-2-ol?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-3-(3-chloro-4-fluorophenyl)propan-2-ol is OC(Cc1ccc(F)c(Cl)c1)Cc1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-3-(3-chloro-4-fluorophenyl)propan-2-ol?
The InChIKey is XJZRDMABVARGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2F2O/c16-12-3-1-2-10(15(12)19)8-11(20)6-9-4-5-14(18)13(17)7-9/h1-5,7,11,20H,6,8H2.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-3-(3-chloro-4-fluorophenyl)propan-2-ol?
1-(3-chloro-2-fluorophenyl)-3-(3-chloro-4-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-(3-chloro-2-fluorophenyl)-3-(3-chloro-4-fluorophenyl)propan-2-ol is sourced from PubChem (CID 103039694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).