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

C17H18ClFO — CID 107883521

IUPAC2-(4-chloro-3-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol
SMILESCc1cc(C)c(C(O)Cc2ccc(Cl)c(F)c2)c(C)c1
InChIInChI=1S/C17H18ClFO/c1-10-6-11(2)17(12(3)7-10)16(20)9-13-4-5-14(18)15(19)8-13/h4-8,16,20H,9H2,1-3H3
InChIKeyORFXWHAKYUNLJI-UHFFFAOYSA-N
MW292.78 g/mol
LogP4.68
Rot. Bonds3

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

2-(4-chloro-3-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol (PubChem CID 107883521) has the molecular formula C17H18ClFO and a molecular weight of 292.78 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol
PubChem CID107883521
Molecular FormulaC17H18ClFO
Molecular Weight292.78 g/mol
Exact Mass292.10
IUPAC Name2-(4-chloro-3-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol
SMILESCc1cc(C)c(C(O)Cc2ccc(Cl)c(F)c2)c(C)c1
InChIInChI=1S/C17H18ClFO/c1-10-6-11(2)17(12(3)7-10)16(20)9-13-4-5-14(18)15(19)8-13/h4-8,16,20H,9H2,1-3H3
InChIKeyORFXWHAKYUNLJI-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-(4-chloro-3-fluorophenyl)-1-(3-fluoro-5-methylphenyl)ethanol
CID 107884328
2-(4-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanol
CID 107883519
2-(4-chloro-3-fluorophenyl)-1-(2-methylphenyl)ethanol
CID 114012545
2-(4-chloro-3-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 107883556
2-(2-chloro-6-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol
CID 63426367
2-(4-chloro-3-fluorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 107894529
2-(3,4-dichlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol
CID 82816292
2-(4-chloro-3-fluorophenyl)-1-(3-methyl-4-pyridinyl)ethanol
CID 107884336
2-(4-chloro-3-fluorophenyl)-1-(4-methyl-3-pyridinyl)ethanol
CID 114012571
2-(3,4-difluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanol
CID 106682618
2-(2-chloro-3-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol
CID 115983386
2-(2-chloro-4-methylphenyl)-1-(2,4,6-trimethylphenyl)ethanol
CID 106866233

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol (CID 107883521) is 2-(4-chloro-3-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol is Cc1cc(C)c(C(O)Cc2ccc(Cl)c(F)c2)c(C)c1.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol?
The InChIKey is ORFXWHAKYUNLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFO/c1-10-6-11(2)17(12(3)7-10)16(20)9-13-4-5-14(18)15(19)8-13/h4-8,16,20H,9H2,1-3H3.
What are the key properties of 2-(4-chloro-3-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol?
2-(4-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-(4-chloro-3-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol is sourced from PubChem (CID 107883521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).