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

C17H24ClFO — CID 103039609

IUPAC2-(3-chloro-4-fluorophenyl)-1-(4-propylcyclohexyl)ethanol
SMILESCCCC1CCC(C(O)Cc2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C17H24ClFO/c1-2-3-12-4-7-14(8-5-12)17(20)11-13-6-9-16(19)15(18)10-13/h6,9-10,12,14,17,20H,2-5,7-8,11H2,1H3
InChIKeyUKEGGDCFXHSZCV-UHFFFAOYSA-N
MW298.83 g/mol
LogP4.99
Rot. Bonds5

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

2-(3-chloro-4-fluorophenyl)-1-(4-propylcyclohexyl)ethanol (PubChem CID 103039609) has the molecular formula C17H24ClFO and a molecular weight of 298.83 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-1-(4-propylcyclohexyl)ethanol.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-1-(4-propylcyclohexyl)ethanol
PubChem CID103039609
Molecular FormulaC17H24ClFO
Molecular Weight298.83 g/mol
Exact Mass298.15
IUPAC Name2-(3-chloro-4-fluorophenyl)-1-(4-propylcyclohexyl)ethanol
SMILESCCCC1CCC(C(O)Cc2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C17H24ClFO/c1-2-3-12-4-7-14(8-5-12)17(20)11-13-6-9-16(19)15(18)10-13/h6,9-10,12,14,17,20H,2-5,7-8,11H2,1H3
InChIKeyUKEGGDCFXHSZCV-UHFFFAOYSA-N
XLogP4.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.83
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-butylcyclohexyl)-2-(3,4-dichlorophenyl)ethanol
CID 63519665
2-(2,3-dihydro-1H-inden-5-yl)-1-(4-propylcyclohexyl)ethanol
CID 65425263
2-(3-bromo-4-fluorophenyl)-1-(4-ethylcyclohexyl)ethanol
CID 65395171
2-(3-chloro-4-fluorophenyl)-1-(oxolan-3-yl)ethanol
CID 103038984
1-(3-chloro-4-fluorophenyl)-4-cyclopentylbutan-2-ol
CID 103043661
2-(3-chloro-4-fluorophenyl)-1-(2,2-dimethylcyclopropyl)ethanol
CID 107005515
2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(4-ethylcyclohexyl)ethanamine
CID 103040129
2-(4-chloro-3-fluorophenyl)-1-cyclobutylethanol
CID 107883654
2-(3,4-dichlorophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine
CID 65424347
2-(3-bromo-4-fluorophenyl)-1-(3-methylcyclopentyl)ethanol
CID 65401565
1-(3-chloro-4-fluorophenyl)-3-cyclopropyl-N-propylbutan-2-amine
CID 103043171
2-(3-bromo-4-fluorophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine
CID 65424348

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-(4-propylcyclohexyl)ethanol?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-(4-propylcyclohexyl)ethanol (CID 103039609) is 2-(3-chloro-4-fluorophenyl)-1-(4-propylcyclohexyl)ethanol.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-1-(4-propylcyclohexyl)ethanol?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-1-(4-propylcyclohexyl)ethanol is CCCC1CCC(C(O)Cc2ccc(F)c(Cl)c2)CC1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-1-(4-propylcyclohexyl)ethanol?
The InChIKey is UKEGGDCFXHSZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClFO/c1-2-3-12-4-7-14(8-5-12)17(20)11-13-6-9-16(19)15(18)10-13/h6,9-10,12,14,17,20H,2-5,7-8,11H2,1H3.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-1-(4-propylcyclohexyl)ethanol?
2-(3-chloro-4-fluorophenyl)-1-(4-propylcyclohexyl)ethanol has a molecular weight of 298.83 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-1-(4-propylcyclohexyl)ethanol is sourced from PubChem (CID 103039609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).