2-(3-chloro-2-fluorophenyl)-1-(2,3-dimethylphenyl)ethanol

C16H16ClFO — CID 82803178

IUPAC2-(3-chloro-2-fluorophenyl)-1-(2,3-dimethylphenyl)ethanol
SMILESCc1cccc(C(O)Cc2cccc(Cl)c2F)c1C
InChIInChI=1S/C16H16ClFO/c1-10-5-3-7-13(11(10)2)15(19)9-12-6-4-8-14(17)16(12)18/h3-8,15,19H,9H2,1-2H3
InChIKeyFJAXXDLWEPDXNZ-UHFFFAOYSA-N
MW278.75 g/mol
LogP4.37
Rot. Bonds3

About 2-(3-chloro-2-fluorophenyl)-1-(2,3-dimethylphenyl)ethanol

2-(3-chloro-2-fluorophenyl)-1-(2,3-dimethylphenyl)ethanol (PubChem CID 82803178) has the molecular formula C16H16ClFO and a molecular weight of 278.75 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-1-(2,3-dimethylphenyl)ethanol.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-1-(2,3-dimethylphenyl)ethanol
PubChem CID82803178
Molecular FormulaC16H16ClFO
Molecular Weight278.75 g/mol
Exact Mass278.09
IUPAC Name2-(3-chloro-2-fluorophenyl)-1-(2,3-dimethylphenyl)ethanol
SMILESCc1cccc(C(O)Cc2cccc(Cl)c2F)c1C
InChIInChI=1S/C16H16ClFO/c1-10-5-3-7-13(11(10)2)15(19)9-12-6-4-8-14(17)16(12)18/h3-8,15,19H,9H2,1-2H3
InChIKeyFJAXXDLWEPDXNZ-UHFFFAOYSA-N
XLogP4.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.75
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chloro-2-fluorophenyl)-1-(2-fluorophenyl)ethanol
CID 82802842
1-(3-bromo-2-fluorophenyl)-2-(3-chloro-2-fluorophenyl)ethanol
CID 106645174
1-(3-chloro-2-fluorophenyl)-3-(2-methylphenyl)propan-2-ol
CID 82803418
2-(2-chloro-4-methylphenyl)-1-(2,3-dimethylphenyl)ethanol
CID 106866259
2-(3-chloro-2-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanol
CID 102867508
1-(3-chloro-2-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 107103532
2-(3-chloro-2-fluorophenyl)-1-(5-chloro-2-methoxyphenyl)ethanol
CID 82802069
2-(3-chloro-2-fluorophenyl)-1-(2,6-difluorophenyl)ethanol
CID 82802615
1-(3-chloro-2-fluorophenyl)-4-methylpentan-2-ol
CID 82802177
2-(2-chloro-6-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanol
CID 81478146
2-(3-chloro-2-fluorophenyl)-1-(2,3-dimethylphenyl)ethanone
CID 82802598
2-(3-chloro-2-fluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol
CID 116810239

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(2,3-dimethylphenyl)ethanol?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(2,3-dimethylphenyl)ethanol (CID 82803178) is 2-(3-chloro-2-fluorophenyl)-1-(2,3-dimethylphenyl)ethanol.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-1-(2,3-dimethylphenyl)ethanol?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-1-(2,3-dimethylphenyl)ethanol is Cc1cccc(C(O)Cc2cccc(Cl)c2F)c1C.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-1-(2,3-dimethylphenyl)ethanol?
The InChIKey is FJAXXDLWEPDXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO/c1-10-5-3-7-13(11(10)2)15(19)9-12-6-4-8-14(17)16(12)18/h3-8,15,19H,9H2,1-2H3.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-1-(2,3-dimethylphenyl)ethanol?
2-(3-chloro-2-fluorophenyl)-1-(2,3-dimethylphenyl)ethanol has a molecular weight of 278.75 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-1-(2,3-dimethylphenyl)ethanol is sourced from PubChem (CID 82803178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).