2-(2-chloro-3-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol

C17H18ClFO — CID 115983386

IUPAC2-(2-chloro-3-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol
SMILESCc1cc(C)c(C(O)Cc2cccc(F)c2Cl)c(C)c1
InChIInChI=1S/C17H18ClFO/c1-10-7-11(2)16(12(3)8-10)15(20)9-13-5-4-6-14(19)17(13)18/h4-8,15,20H,9H2,1-3H3
InChIKeyNXKSRSBZUKBJIU-UHFFFAOYSA-N
MW292.78 g/mol
LogP4.68
Rot. Bonds3

About 2-(2-chloro-3-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol

2-(2-chloro-3-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol (PubChem CID 115983386) has the molecular formula C17H18ClFO and a molecular weight of 292.78 g/mol. Its IUPAC name is 2-(2-chloro-3-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol.

Molecular Properties

Compound Name2-(2-chloro-3-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol
PubChem CID115983386
Molecular FormulaC17H18ClFO
Molecular Weight292.78 g/mol
Exact Mass292.10
IUPAC Name2-(2-chloro-3-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol
SMILESCc1cc(C)c(C(O)Cc2cccc(F)c2Cl)c(C)c1
InChIInChI=1S/C17H18ClFO/c1-10-7-11(2)16(12(3)8-10)15(20)9-13-5-4-6-14(19)17(13)18/h4-8,15,20H,9H2,1-3H3
InChIKeyNXKSRSBZUKBJIU-UHFFFAOYSA-N
XLogP4.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.78
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanol
CID 112653011
2-(2-chloro-6-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol
CID 63426367
2-(2-chloro-3-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanol
CID 115831225
1-(3-bromo-5-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 115831119
2-(2-chloro-3-fluorophenyl)-1-(3-chloro-4-methylphenyl)ethanol
CID 115831204
1-(2-chloro-6-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanol
CID 63896005
1-(4-bromo-3-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 112653147
1-(2-bromo-4-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 112653163
2-(2,5-difluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol
CID 63893918
2-(2-chloro-3-fluorophenyl)-1-(4-chlorophenyl)ethanol
CID 112652994
2-(4-chloro-3-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol
CID 107883521
2-(2-chloro-4-methylphenyl)-1-(2,4,6-trimethylphenyl)ethanol
CID 106866233

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol?
The IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol (CID 115983386) is 2-(2-chloro-3-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol.
What is the SMILES notation for 2-(2-chloro-3-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol?
The canonical SMILES for 2-(2-chloro-3-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol is Cc1cc(C)c(C(O)Cc2cccc(F)c2Cl)c(C)c1.
What is the InChIKey of 2-(2-chloro-3-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol?
The InChIKey is NXKSRSBZUKBJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFO/c1-10-7-11(2)16(12(3)8-10)15(20)9-13-5-4-6-14(19)17(13)18/h4-8,15,20H,9H2,1-3H3.
What are the key properties of 2-(2-chloro-3-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol?
2-(2-chloro-3-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol has a molecular weight of 292.78 g/mol, XLogP of 4.68, 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-(2,4,6-trimethylphenyl)ethanol is sourced from PubChem (CID 115983386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).