1-(3-chloro-2-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol

C16H16ClFO — CID 107103532

IUPAC1-(3-chloro-2-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol
SMILESCc1ccc(F)cc1CC(O)c1cccc(Cl)c1C
InChIInChI=1S/C16H16ClFO/c1-10-6-7-13(18)8-12(10)9-16(19)14-4-3-5-15(17)11(14)2/h3-8,16,19H,9H2,1-2H3
InChIKeyJAGBNUNNQSNFLM-UHFFFAOYSA-N
MW278.75 g/mol
LogP4.37
Rot. Bonds3

About 1-(3-chloro-2-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol

1-(3-chloro-2-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol (PubChem CID 107103532) has the molecular formula C16H16ClFO and a molecular weight of 278.75 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol
PubChem CID107103532
Molecular FormulaC16H16ClFO
Molecular Weight278.75 g/mol
Exact Mass278.09
IUPAC Name1-(3-chloro-2-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol
SMILESCc1ccc(F)cc1CC(O)c1cccc(Cl)c1C
InChIInChI=1S/C16H16ClFO/c1-10-6-7-13(18)8-12(10)9-16(19)14-4-3-5-15(17)11(14)2/h3-8,16,19H,9H2,1-2H3
InChIKeyJAGBNUNNQSNFLM-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

1-(3-bromo-2-chlorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105377688
1-(4-chloro-2,5-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105377673
2-(5-fluoro-2-methylphenyl)-1-(2-iodophenyl)ethanol
CID 105377699
1-(2-chloro-5-fluorophenyl)-2-(2-methylphenyl)ethanol
CID 105394441
1-(2,4-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105372816
2-(4-bromo-2-fluorophenyl)-1-(3-chloro-2-methylphenyl)ethanol
CID 107103323
1-(2-chlorophenyl)-2-(2,5-difluorophenyl)ethanol
CID 62099435
1-(3-chloro-2-fluorophenyl)-2-(2,5-difluorophenyl)ethanol
CID 64712609
2-(3-chloro-2-fluorophenyl)-1-(2,3-dimethylphenyl)ethanol
CID 82803178
1-(3-chloro-2-methylphenyl)-2-(2,6-dichlorophenyl)ethanol
CID 107103304
2-(2-chloro-4-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 62607143
1-(2-bromo-4-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105377660

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol (CID 107103532) is 1-(3-chloro-2-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol is Cc1ccc(F)cc1CC(O)c1cccc(Cl)c1C.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol?
The InChIKey is JAGBNUNNQSNFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO/c1-10-6-7-13(18)8-12(10)9-16(19)14-4-3-5-15(17)11(14)2/h3-8,16,19H,9H2,1-2H3.
What are the key properties of 1-(3-chloro-2-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol?
1-(3-chloro-2-methylphenyl)-2-(5-fluoro-2-methylphenyl)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 1-(3-chloro-2-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol is sourced from PubChem (CID 107103532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).