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

C15H13ClF2O — CID 114982155

IUPAC1-(4-chloro-3-methylphenyl)-2-(2,5-difluorophenyl)ethanol
SMILESCc1cc(C(O)Cc2cc(F)ccc2F)ccc1Cl
InChIInChI=1S/C15H13ClF2O/c1-9-6-10(2-4-13(9)16)15(19)8-11-7-12(17)3-5-14(11)18/h2-7,15,19H,8H2,1H3
InChIKeyLIHRAAKJRQDMGQ-UHFFFAOYSA-N
MW282.72 g/mol
LogP4.20
Rot. Bonds3

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

1-(4-chloro-3-methylphenyl)-2-(2,5-difluorophenyl)ethanol (PubChem CID 114982155) has the molecular formula C15H13ClF2O and a molecular weight of 282.72 g/mol. Its IUPAC name is 1-(4-chloro-3-methylphenyl)-2-(2,5-difluorophenyl)ethanol.

Molecular Properties

Compound Name1-(4-chloro-3-methylphenyl)-2-(2,5-difluorophenyl)ethanol
PubChem CID114982155
Molecular FormulaC15H13ClF2O
Molecular Weight282.72 g/mol
Exact Mass282.06
IUPAC Name1-(4-chloro-3-methylphenyl)-2-(2,5-difluorophenyl)ethanol
SMILESCc1cc(C(O)Cc2cc(F)ccc2F)ccc1Cl
InChIInChI=1S/C15H13ClF2O/c1-9-6-10(2-4-13(9)16)15(19)8-11-7-12(17)3-5-14(11)18/h2-7,15,19H,8H2,1H3
InChIKeyLIHRAAKJRQDMGQ-UHFFFAOYSA-N
XLogP4.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.72
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-bromo-2-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanol
CID 115784984
[1-(4-chloro-3-methylphenyl)-2-(2,5-difluorophenyl)ethyl]hydrazine
CID 105288871
1-(3,4-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105372805
2-(3-chloro-2-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanol
CID 102867508
2-(2,5-difluorophenyl)-1-naphthalen-2-ylethanol
CID 62716910
2-(5-chloro-2-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 103048202
2-(2,5-difluorophenyl)-1-(5-methylfuran-3-yl)ethanol
CID 114982000
2-(3,4-dichlorophenyl)-1-(4-fluoro-3-methylphenyl)ethanol
CID 55134453
1-(2-chlorophenyl)-2-(2,5-difluorophenyl)ethanol
CID 62099435
2-(5-fluoro-2-methylphenyl)-1-(4-propan-2-ylphenyl)ethanol
CID 105372798
2-(2,5-difluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol
CID 63893918
1-(3-chloro-2-fluorophenyl)-2-(2,5-difluorophenyl)ethanol
CID 64712609

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methylphenyl)-2-(2,5-difluorophenyl)ethanol?
The IUPAC name of 1-(4-chloro-3-methylphenyl)-2-(2,5-difluorophenyl)ethanol (CID 114982155) is 1-(4-chloro-3-methylphenyl)-2-(2,5-difluorophenyl)ethanol.
What is the SMILES notation for 1-(4-chloro-3-methylphenyl)-2-(2,5-difluorophenyl)ethanol?
The canonical SMILES for 1-(4-chloro-3-methylphenyl)-2-(2,5-difluorophenyl)ethanol is Cc1cc(C(O)Cc2cc(F)ccc2F)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methylphenyl)-2-(2,5-difluorophenyl)ethanol?
The InChIKey is LIHRAAKJRQDMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2O/c1-9-6-10(2-4-13(9)16)15(19)8-11-7-12(17)3-5-14(11)18/h2-7,15,19H,8H2,1H3.
What are the key properties of 1-(4-chloro-3-methylphenyl)-2-(2,5-difluorophenyl)ethanol?
1-(4-chloro-3-methylphenyl)-2-(2,5-difluorophenyl)ethanol has a molecular weight of 282.72 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methylphenyl)-2-(2,5-difluorophenyl)ethanol is sourced from PubChem (CID 114982155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).