2-(3-chloro-2-fluorophenyl)-1-[4-(2-methylpropyl)phenyl]ethanol

C18H20ClFO — CID 102856962

IUPAC2-(3-chloro-2-fluorophenyl)-1-[4-(2-methylpropyl)phenyl]ethanol
SMILESCC(C)Cc1ccc(C(O)Cc2cccc(Cl)c2F)cc1
InChIInChI=1S/C18H20ClFO/c1-12(2)10-13-6-8-14(9-7-13)17(21)11-15-4-3-5-16(19)18(15)20/h3-9,12,17,21H,10-11H2,1-2H3
InChIKeyKFYHZHVRHKPACZ-UHFFFAOYSA-N
MW306.81 g/mol
LogP4.95
Rot. Bonds5

About 2-(3-chloro-2-fluorophenyl)-1-[4-(2-methylpropyl)phenyl]ethanol

2-(3-chloro-2-fluorophenyl)-1-[4-(2-methylpropyl)phenyl]ethanol (PubChem CID 102856962) has the molecular formula C18H20ClFO and a molecular weight of 306.81 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-1-[4-(2-methylpropyl)phenyl]ethanol.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-1-[4-(2-methylpropyl)phenyl]ethanol
PubChem CID102856962
Molecular FormulaC18H20ClFO
Molecular Weight306.81 g/mol
Exact Mass306.12
IUPAC Name2-(3-chloro-2-fluorophenyl)-1-[4-(2-methylpropyl)phenyl]ethanol
SMILESCC(C)Cc1ccc(C(O)Cc2cccc(Cl)c2F)cc1
InChIInChI=1S/C18H20ClFO/c1-12(2)10-13-6-8-14(9-7-13)17(21)11-15-4-3-5-16(19)18(15)20/h3-9,12,17,21H,10-11H2,1-2H3
InChIKeyKFYHZHVRHKPACZ-UHFFFAOYSA-N
XLogP4.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.81
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chloro-2-fluorophenyl)-1-(4-ethylsulfanylphenyl)ethanol
CID 106848185
2-(3-chloro-2-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanol
CID 102867542
2-(3-chloro-2-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanol
CID 102867508
1-(3-chloro-2-fluorophenyl)-4-methylpentan-2-ol
CID 82802177
1-(3-chloro-2-fluorophenyl)-6-methylheptan-2-ol
CID 83160800
1-(3-chloro-2-fluorophenyl)-3-(4-methylphenyl)propan-2-ol
CID 82803292
1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-ol
CID 82803053
1-(3-chloro-2-fluorophenyl)butane-2,3-diol
CID 103452798
1-(4-bromo-3-fluorophenyl)-2-(3-chloro-2-fluorophenyl)ethanol
CID 102856976
2-(3,4-dichlorophenyl)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 63428543
2-(3-chloro-2-fluorophenyl)-1-(2,6-difluorophenyl)ethanol
CID 82802615
1-(3-chloro-2-fluorophenyl)pentane-2,3-diol
CID 103454687

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-[4-(2-methylpropyl)phenyl]ethanol?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-[4-(2-methylpropyl)phenyl]ethanol (CID 102856962) is 2-(3-chloro-2-fluorophenyl)-1-[4-(2-methylpropyl)phenyl]ethanol.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-1-[4-(2-methylpropyl)phenyl]ethanol?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-1-[4-(2-methylpropyl)phenyl]ethanol is CC(C)Cc1ccc(C(O)Cc2cccc(Cl)c2F)cc1.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-1-[4-(2-methylpropyl)phenyl]ethanol?
The InChIKey is KFYHZHVRHKPACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFO/c1-12(2)10-13-6-8-14(9-7-13)17(21)11-15-4-3-5-16(19)18(15)20/h3-9,12,17,21H,10-11H2,1-2H3.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-1-[4-(2-methylpropyl)phenyl]ethanol?
2-(3-chloro-2-fluorophenyl)-1-[4-(2-methylpropyl)phenyl]ethanol has a molecular weight of 306.81 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-1-[4-(2-methylpropyl)phenyl]ethanol is sourced from PubChem (CID 102856962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).