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

C17H18ClFO — CID 63896005

IUPAC1-(2-chloro-6-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanol
SMILESCc1cc(C)c(CC(O)c2c(F)cccc2Cl)c(C)c1
InChIInChI=1S/C17H18ClFO/c1-10-7-11(2)13(12(3)8-10)9-16(20)17-14(18)5-4-6-15(17)19/h4-8,16,20H,9H2,1-3H3
InChIKeySKBKHKVPVMROEJ-UHFFFAOYSA-N
MW292.78 g/mol
LogP4.68
Rot. Bonds3

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

1-(2-chloro-6-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanol (PubChem CID 63896005) has the molecular formula C17H18ClFO and a molecular weight of 292.78 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanol.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanol
PubChem CID63896005
Molecular FormulaC17H18ClFO
Molecular Weight292.78 g/mol
Exact Mass292.10
IUPAC Name1-(2-chloro-6-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanol
SMILESCc1cc(C)c(CC(O)c2c(F)cccc2Cl)c(C)c1
InChIInChI=1S/C17H18ClFO/c1-10-7-11(2)13(12(3)8-10)9-16(20)17-14(18)5-4-6-15(17)19/h4-8,16,20H,9H2,1-3H3
InChIKeySKBKHKVPVMROEJ-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-6-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol
CID 63426367
2-(2-chloro-3-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol
CID 115983386
1-(2-chloro-6-fluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanol
CID 114851983
1-(2-chloro-6-fluorophenyl)-2-(4-chlorophenyl)ethanol
CID 63016942
[1-(2-chloro-3-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethyl]hydrazine
CID 105292719
2-(3-chloro-2-fluorophenyl)-1-(2,6-difluorophenyl)ethanol
CID 82802615
2-(2-chloro-6-fluorophenyl)-1-(4-methylphenyl)ethanol
CID 61100900
2-(4-chloro-3-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol
CID 107883521
2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanol
CID 82891487
1-(4-fluoro-3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol
CID 63410710
(2-chloro-6-fluorophenyl)-(4-fluoro-2,6-dimethylphenyl)methanol
CID 106879542
2-(2-chloro-6-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanol
CID 81478146

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanol?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanol (CID 63896005) is 1-(2-chloro-6-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanol.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanol?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanol is Cc1cc(C)c(CC(O)c2c(F)cccc2Cl)c(C)c1.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanol?
The InChIKey is SKBKHKVPVMROEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFO/c1-10-7-11(2)13(12(3)8-10)9-16(20)17-14(18)5-4-6-15(17)19/h4-8,16,20H,9H2,1-3H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanol?
1-(2-chloro-6-fluorophenyl)-2-(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 1-(2-chloro-6-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanol is sourced from PubChem (CID 63896005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).