2-(2-chloro-6-fluorophenyl)-1-(4-propylphenyl)ethanol

C17H18ClFO — CID 63410788

IUPAC2-(2-chloro-6-fluorophenyl)-1-(4-propylphenyl)ethanol
SMILESCCCc1ccc(C(O)Cc2c(F)cccc2Cl)cc1
InChIInChI=1S/C17H18ClFO/c1-2-4-12-7-9-13(10-8-12)17(20)11-14-15(18)5-3-6-16(14)19/h3,5-10,17,20H,2,4,11H2,1H3
InChIKeyJWCJFSXVRNIPHM-UHFFFAOYSA-N
MW292.78 g/mol
LogP4.71
Rot. Bonds5

About 2-(2-chloro-6-fluorophenyl)-1-(4-propylphenyl)ethanol

2-(2-chloro-6-fluorophenyl)-1-(4-propylphenyl)ethanol (PubChem CID 63410788) has the molecular formula C17H18ClFO and a molecular weight of 292.78 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-(4-propylphenyl)ethanol.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-(4-propylphenyl)ethanol
PubChem CID63410788
Molecular FormulaC17H18ClFO
Molecular Weight292.78 g/mol
Exact Mass292.10
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-(4-propylphenyl)ethanol
SMILESCCCc1ccc(C(O)Cc2c(F)cccc2Cl)cc1
InChIInChI=1S/C17H18ClFO/c1-2-4-12-7-9-13(10-8-12)17(20)11-14-15(18)5-3-6-16(14)19/h3,5-10,17,20H,2,4,11H2,1H3
InChIKeyJWCJFSXVRNIPHM-UHFFFAOYSA-N
XLogP4.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.78
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-methyl-1-(4-propylphenyl)ethanamine
CID 43484891
2-(2-chloro-6-fluorophenyl)-1-(4-methylphenyl)ethanol
CID 61100900
2-(2-chloro-6-fluorophenyl)-1-(4-ethoxyphenyl)ethanol
CID 61099366
2-(2,6-dichlorophenyl)-1-(4-ethylphenyl)ethanol
CID 55187735
2-(2-chloro-6-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanol
CID 114982296
2-(2-chloro-6-fluorophenyl)-1-pyridin-4-ylethanol
CID 61495940
2-(2-chloro-6-fluorophenyl)-1-(3-chlorophenyl)ethanol
CID 61495863
2-(3,5-difluorophenyl)-1-(4-propylphenyl)ethanol
CID 62800447
2-(2-chloro-6-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanol
CID 63019201
2-(2-chloro-6-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanol
CID 81478146
N-[2-(2-chloro-6-fluorophenyl)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 43494761
2-(2-chloro-6-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol
CID 63426367

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(4-propylphenyl)ethanol?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(4-propylphenyl)ethanol (CID 63410788) is 2-(2-chloro-6-fluorophenyl)-1-(4-propylphenyl)ethanol.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-(4-propylphenyl)ethanol?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-(4-propylphenyl)ethanol is CCCc1ccc(C(O)Cc2c(F)cccc2Cl)cc1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-(4-propylphenyl)ethanol?
The InChIKey is JWCJFSXVRNIPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFO/c1-2-4-12-7-9-13(10-8-12)17(20)11-14-15(18)5-3-6-16(14)19/h3,5-10,17,20H,2,4,11H2,1H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-(4-propylphenyl)ethanol?
2-(2-chloro-6-fluorophenyl)-1-(4-propylphenyl)ethanol has a molecular weight of 292.78 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-(4-propylphenyl)ethanol is sourced from PubChem (CID 63410788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).