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

C15H13ClF2O — CID 106859159

IUPAC1-(2-chloro-4-methylphenyl)-2-(2,3-difluorophenyl)ethanol
SMILESCc1ccc(C(O)Cc2cccc(F)c2F)c(Cl)c1
InChIInChI=1S/C15H13ClF2O/c1-9-5-6-11(12(16)7-9)14(19)8-10-3-2-4-13(17)15(10)18/h2-7,14,19H,8H2,1H3
InChIKeyAHIDTCGTUMNGPK-UHFFFAOYSA-N
MW282.72 g/mol
LogP4.20
Rot. Bonds3

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

1-(2-chloro-4-methylphenyl)-2-(2,3-difluorophenyl)ethanol (PubChem CID 106859159) has the molecular formula C15H13ClF2O and a molecular weight of 282.72 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-2-(2,3-difluorophenyl)ethanol.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-2-(2,3-difluorophenyl)ethanol
PubChem CID106859159
Molecular FormulaC15H13ClF2O
Molecular Weight282.72 g/mol
Exact Mass282.06
IUPAC Name1-(2-chloro-4-methylphenyl)-2-(2,3-difluorophenyl)ethanol
SMILESCc1ccc(C(O)Cc2cccc(F)c2F)c(Cl)c1
InChIInChI=1S/C15H13ClF2O/c1-9-5-6-11(12(16)7-9)14(19)8-10-3-2-4-13(17)15(10)18/h2-7,14,19H,8H2,1H3
InChIKeyAHIDTCGTUMNGPK-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

1-(2-chloro-4-methylphenyl)-2-(2,3-dichlorophenyl)ethanol
CID 107312550
1,2-bis(2-chloro-4-methylphenyl)ethanol
CID 106868189
1-(2-chloro-4-methylphenyl)-2-(2,6-dimethylphenyl)ethanol
CID 106859457
1-(2-chloro-4-methylphenyl)-2-(2,6-dichlorophenyl)ethanol
CID 106859115
1-(2-bromo-4-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 112653163
2-(2-bromo-3-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethanol
CID 115826420
2-(2,3-difluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanol
CID 105089661
1-(3,4-dichlorophenyl)-2-(2,3-difluorophenyl)ethanol
CID 65151174
2-(3-chloro-2-fluorophenyl)-1-(2-fluorophenyl)ethanol
CID 82802842
1-(2-bromo-3-methylphenyl)-2-(2,3-difluorophenyl)ethanol
CID 107983842
2-(3-chloro-2-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-methylethanamine
CID 106858929
2-(2,3-dichlorophenyl)-1-(2,3-difluorophenyl)ethanol
CID 107307471

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-2-(2,3-difluorophenyl)ethanol?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-2-(2,3-difluorophenyl)ethanol (CID 106859159) is 1-(2-chloro-4-methylphenyl)-2-(2,3-difluorophenyl)ethanol.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-2-(2,3-difluorophenyl)ethanol?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-2-(2,3-difluorophenyl)ethanol is Cc1ccc(C(O)Cc2cccc(F)c2F)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-2-(2,3-difluorophenyl)ethanol?
The InChIKey is AHIDTCGTUMNGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2O/c1-9-5-6-11(12(16)7-9)14(19)8-10-3-2-4-13(17)15(10)18/h2-7,14,19H,8H2,1H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-2-(2,3-difluorophenyl)ethanol?
1-(2-chloro-4-methylphenyl)-2-(2,3-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-(2-chloro-4-methylphenyl)-2-(2,3-difluorophenyl)ethanol is sourced from PubChem (CID 106859159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).