1-(2-chloro-4,5-dimethylphenyl)-2-(3,4-difluorophenyl)ethanol

C16H15ClF2O — CID 115484531

IUPAC1-(2-chloro-4,5-dimethylphenyl)-2-(3,4-difluorophenyl)ethanol
SMILESCc1cc(Cl)c(C(O)Cc2ccc(F)c(F)c2)cc1C
InChIInChI=1S/C16H15ClF2O/c1-9-5-12(13(17)6-10(9)2)16(20)8-11-3-4-14(18)15(19)7-11/h3-7,16,20H,8H2,1-2H3
InChIKeyCUPNHVIFQAAJGT-UHFFFAOYSA-N
MW296.74 g/mol
LogP4.51
Rot. Bonds3

About 1-(2-chloro-4,5-dimethylphenyl)-2-(3,4-difluorophenyl)ethanol

1-(2-chloro-4,5-dimethylphenyl)-2-(3,4-difluorophenyl)ethanol (PubChem CID 115484531) has the molecular formula C16H15ClF2O and a molecular weight of 296.74 g/mol. Its IUPAC name is 1-(2-chloro-4,5-dimethylphenyl)-2-(3,4-difluorophenyl)ethanol.

Molecular Properties

Compound Name1-(2-chloro-4,5-dimethylphenyl)-2-(3,4-difluorophenyl)ethanol
PubChem CID115484531
Molecular FormulaC16H15ClF2O
Molecular Weight296.74 g/mol
Exact Mass296.08
IUPAC Name1-(2-chloro-4,5-dimethylphenyl)-2-(3,4-difluorophenyl)ethanol
SMILESCc1cc(Cl)c(C(O)Cc2ccc(F)c(F)c2)cc1C
InChIInChI=1S/C16H15ClF2O/c1-9-5-12(13(17)6-10(9)2)16(20)8-11-3-4-14(18)15(19)7-11/h3-7,16,20H,8H2,1-2H3
InChIKeyCUPNHVIFQAAJGT-UHFFFAOYSA-N
XLogP4.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.74
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4,5-dimethylphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 115484564
1-(2-chloro-5-fluorophenyl)-2-(3,4-difluorophenyl)ethanol
CID 105397725
1-(2-chloro-4,5-dimethylphenyl)-2-(3-fluorophenyl)ethanol
CID 115484522
1-(3-chloro-2-fluorophenyl)-2-(3,4-difluorophenyl)ethanol
CID 81263221
2-(4-chlorophenyl)-1-(2,4,5-trimethylphenyl)ethanol
CID 64989886
2-(3,4-difluorophenyl)-1-(3-methyl-4-pyridinyl)ethanol
CID 82919760
2-(4-chloro-3-fluorophenyl)-1-(2-methylphenyl)ethanol
CID 114012545
2-(4-chloro-3-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 107883556
2-(4-chloro-3-fluorophenyl)-1-(3-methyl-4-pyridinyl)ethanol
CID 107884336
2-(4-chloro-3-fluorophenyl)-1-(4-methyl-3-pyridinyl)ethanol
CID 114012571
1-chloro-2-[1-chloro-2-(4-chlorophenyl)ethyl]-4,5-dimethylbenzene
CID 113319615
1-(2-chloro-4,5-difluorophenyl)-2-(3-fluorophenyl)ethanol
CID 107477080

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,5-dimethylphenyl)-2-(3,4-difluorophenyl)ethanol?
The IUPAC name of 1-(2-chloro-4,5-dimethylphenyl)-2-(3,4-difluorophenyl)ethanol (CID 115484531) is 1-(2-chloro-4,5-dimethylphenyl)-2-(3,4-difluorophenyl)ethanol.
What is the SMILES notation for 1-(2-chloro-4,5-dimethylphenyl)-2-(3,4-difluorophenyl)ethanol?
The canonical SMILES for 1-(2-chloro-4,5-dimethylphenyl)-2-(3,4-difluorophenyl)ethanol is Cc1cc(Cl)c(C(O)Cc2ccc(F)c(F)c2)cc1C.
What is the InChIKey of 1-(2-chloro-4,5-dimethylphenyl)-2-(3,4-difluorophenyl)ethanol?
The InChIKey is CUPNHVIFQAAJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF2O/c1-9-5-12(13(17)6-10(9)2)16(20)8-11-3-4-14(18)15(19)7-11/h3-7,16,20H,8H2,1-2H3.
What are the key properties of 1-(2-chloro-4,5-dimethylphenyl)-2-(3,4-difluorophenyl)ethanol?
1-(2-chloro-4,5-dimethylphenyl)-2-(3,4-difluorophenyl)ethanol has a molecular weight of 296.74 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4,5-dimethylphenyl)-2-(3,4-difluorophenyl)ethanol is sourced from PubChem (CID 115484531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).