2-(2-chloro-3-fluorophenyl)-1-(3-chloro-4-methylphenyl)ethanol

C15H13Cl2FO — CID 115831204

IUPAC2-(2-chloro-3-fluorophenyl)-1-(3-chloro-4-methylphenyl)ethanol
SMILESCc1ccc(C(O)Cc2cccc(F)c2Cl)cc1Cl
InChIInChI=1S/C15H13Cl2FO/c1-9-5-6-10(7-12(9)16)14(19)8-11-3-2-4-13(18)15(11)17/h2-7,14,19H,8H2,1H3
InChIKeyKBYWJIMSXDYLAA-UHFFFAOYSA-N
MW299.17 g/mol
LogP4.72
Rot. Bonds3

About 2-(2-chloro-3-fluorophenyl)-1-(3-chloro-4-methylphenyl)ethanol

2-(2-chloro-3-fluorophenyl)-1-(3-chloro-4-methylphenyl)ethanol (PubChem CID 115831204) has the molecular formula C15H13Cl2FO and a molecular weight of 299.17 g/mol. Its IUPAC name is 2-(2-chloro-3-fluorophenyl)-1-(3-chloro-4-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(2-chloro-3-fluorophenyl)-1-(3-chloro-4-methylphenyl)ethanol
PubChem CID115831204
Molecular FormulaC15H13Cl2FO
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Name2-(2-chloro-3-fluorophenyl)-1-(3-chloro-4-methylphenyl)ethanol
SMILESCc1ccc(C(O)Cc2cccc(F)c2Cl)cc1Cl
InChIInChI=1S/C15H13Cl2FO/c1-9-5-6-10(7-12(9)16)14(19)8-11-3-2-4-13(18)15(11)17/h2-7,14,19H,8H2,1H3
InChIKeyKBYWJIMSXDYLAA-UHFFFAOYSA-N
XLogP4.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-3-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 112653147
2-(2-chloro-3-fluorophenyl)-1-(4-chlorophenyl)ethanol
CID 112652994
2-(2-chloro-3-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanol
CID 115831225
2-(2-chloro-3-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol
CID 115983386
2-(3-chloro-2-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanol
CID 102867508
1-(3-bromo-5-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 115831119
1-(3,4-dichlorophenyl)-2-(2,3-difluorophenyl)ethanol
CID 65151174
1-(3-bromo-4-methoxyphenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 115983371
1-(3-bromo-4-methylphenyl)-2-(2,3-dichlorophenyl)ethanol
CID 107307685
1-(3-chloro-4-methylphenyl)-2-(2-methoxyphenyl)ethanol
CID 55162570
1-(3-fluoro-4-methylphenyl)-2-(2-fluorophenyl)ethanol
CID 60798295
2-(2-chloro-3-fluorophenyl)-1-(4-propan-2-yloxyphenyl)ethanol
CID 115983362

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(3-chloro-4-methylphenyl)ethanol?
The IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(3-chloro-4-methylphenyl)ethanol (CID 115831204) is 2-(2-chloro-3-fluorophenyl)-1-(3-chloro-4-methylphenyl)ethanol.
What is the SMILES notation for 2-(2-chloro-3-fluorophenyl)-1-(3-chloro-4-methylphenyl)ethanol?
The canonical SMILES for 2-(2-chloro-3-fluorophenyl)-1-(3-chloro-4-methylphenyl)ethanol is Cc1ccc(C(O)Cc2cccc(F)c2Cl)cc1Cl.
What is the InChIKey of 2-(2-chloro-3-fluorophenyl)-1-(3-chloro-4-methylphenyl)ethanol?
The InChIKey is KBYWJIMSXDYLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FO/c1-9-5-6-10(7-12(9)16)14(19)8-11-3-2-4-13(18)15(11)17/h2-7,14,19H,8H2,1H3.
What are the key properties of 2-(2-chloro-3-fluorophenyl)-1-(3-chloro-4-methylphenyl)ethanol?
2-(2-chloro-3-fluorophenyl)-1-(3-chloro-4-methylphenyl)ethanol has a molecular weight of 299.17 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-fluorophenyl)-1-(3-chloro-4-methylphenyl)ethanol is sourced from PubChem (CID 115831204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).