1-(3-chloro-4-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-ol

C15H12Cl3FO — CID 103039559

IUPAC1-(3-chloro-4-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-ol
SMILESOC(Cc1ccc(F)c(Cl)c1)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C15H12Cl3FO/c16-12-2-1-3-13(17)11(12)8-10(20)6-9-4-5-15(19)14(18)7-9/h1-5,7,10,20H,6,8H2
InChIKeyQMIGAIXOKOLBPC-UHFFFAOYSA-N
MW333.62 g/mol
LogP4.93
Rot. Bonds4

About 1-(3-chloro-4-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-ol

1-(3-chloro-4-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-ol (PubChem CID 103039559) has the molecular formula C15H12Cl3FO and a molecular weight of 333.62 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-ol
PubChem CID103039559
Molecular FormulaC15H12Cl3FO
Molecular Weight333.62 g/mol
Exact Mass331.99
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-ol
SMILESOC(Cc1ccc(F)c(Cl)c1)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C15H12Cl3FO/c16-12-2-1-3-13(17)11(12)8-10(20)6-9-4-5-15(19)14(18)7-9/h1-5,7,10,20H,6,8H2
InChIKeyQMIGAIXOKOLBPC-UHFFFAOYSA-N
XLogP4.93
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 ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-2-fluorophenyl)-3-(3-chloro-4-fluorophenyl)propan-2-ol
CID 103039694
1-(3-chloro-2-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-ol
CID 82920732
2-(3-chloro-4-fluorophenyl)-1-(2-chlorophenyl)ethanol
CID 103038949
1-(3-chloro-4-fluorophenyl)-4-methylpentan-2-ol
CID 103039007
1-(2-chloro-6-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 63022137
1-(3-chloro-4-fluorophenyl)-3-methoxypropan-2-ol
CID 103039553
1-(2,6-dichlorophenyl)-3-(3-methoxyphenyl)propan-2-ol
CID 62606541
1-(3-bromo-2,6-difluorophenyl)-3-(3,4-dichlorophenyl)propan-2-ol
CID 106266420
1-(2,4-dichlorophenyl)-3-(3,4-difluorophenyl)propan-2-ol
CID 82920805
1-(2-bromo-5-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-ol
CID 63410719
1-(3-bromophenyl)-2-(3-chloro-4-fluorophenyl)ethanol
CID 103038952
1-(3-chloro-4-fluorophenyl)propan-2-amine
CID 55254568

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-ol?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-ol (CID 103039559) is 1-(3-chloro-4-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-ol.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-ol?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-ol is OC(Cc1ccc(F)c(Cl)c1)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-ol?
The InChIKey is QMIGAIXOKOLBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl3FO/c16-12-2-1-3-13(17)11(12)8-10(20)6-9-4-5-15(19)14(18)7-9/h1-5,7,10,20H,6,8H2.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-ol?
1-(3-chloro-4-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-ol has a molecular weight of 333.62 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-ol is sourced from PubChem (CID 103039559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).