2-(3-chlorophenyl)-1-[3-(difluoromethyl)phenyl]ethanol

C15H13ClF2O — CID 115527783

IUPAC2-(3-chlorophenyl)-1-[3-(difluoromethyl)phenyl]ethanol
SMILESOC(Cc1cccc(Cl)c1)c1cccc(C(F)F)c1
InChIInChI=1S/C15H13ClF2O/c16-13-6-1-3-10(7-13)8-14(19)11-4-2-5-12(9-11)15(17)18/h1-7,9,14-15,19H,8H2
InChIKeyHVTPBHVDBGMMTD-UHFFFAOYSA-N
MW282.72 g/mol
LogP4.55
Rot. Bonds4

About 2-(3-chlorophenyl)-1-[3-(difluoromethyl)phenyl]ethanol

2-(3-chlorophenyl)-1-[3-(difluoromethyl)phenyl]ethanol (PubChem CID 115527783) has the molecular formula C15H13ClF2O and a molecular weight of 282.72 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-[3-(difluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-[3-(difluoromethyl)phenyl]ethanol
PubChem CID115527783
Molecular FormulaC15H13ClF2O
Molecular Weight282.72 g/mol
Exact Mass282.06
IUPAC Name2-(3-chlorophenyl)-1-[3-(difluoromethyl)phenyl]ethanol
SMILESOC(Cc1cccc(Cl)c1)c1cccc(C(F)F)c1
InChIInChI=1S/C15H13ClF2O/c16-13-6-1-3-10(7-13)8-14(19)11-4-2-5-12(9-11)15(17)18/h1-7,9,14-15,19H,8H2
InChIKeyHVTPBHVDBGMMTD-UHFFFAOYSA-N
XLogP4.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.72
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chlorophenyl)-1-[3-(difluoromethyl)phenyl]ethanol
CID 115527782
1-[3-(difluoromethyl)phenyl]-2-phenylethanol
CID 115527640
2-(3-chlorophenyl)-1-(3,4-difluorophenyl)ethanol
CID 60797621
1-(3-chlorophenyl)-2-(3-fluorophenyl)ethanol
CID 60798270
2-(3-chlorophenyl)-1-(4-fluorophenyl)ethanol
CID 60797606
2-(3-bromophenyl)-1-(3-chlorophenyl)ethanol
CID 60797873
2-(3-chlorophenyl)-1-(3,5-dibromophenyl)ethanol
CID 107978121
1-[3-(difluoromethyl)phenyl]-2-(4-iodophenyl)ethanol
CID 115527785
1-[3-(difluoromethyl)phenyl]-2-pyridin-3-ylethanol
CID 113446855
1-[3-(difluoromethyl)phenyl]propan-2-ol
CID 117280458
2-(3-chlorophenyl)-1-(1H-pyrrol-3-yl)ethanol
CID 63750366
2-(3-chlorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanol
CID 62503763

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-[3-(difluoromethyl)phenyl]ethanol?
The IUPAC name of 2-(3-chlorophenyl)-1-[3-(difluoromethyl)phenyl]ethanol (CID 115527783) is 2-(3-chlorophenyl)-1-[3-(difluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-(3-chlorophenyl)-1-[3-(difluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-(3-chlorophenyl)-1-[3-(difluoromethyl)phenyl]ethanol is OC(Cc1cccc(Cl)c1)c1cccc(C(F)F)c1.
What is the InChIKey of 2-(3-chlorophenyl)-1-[3-(difluoromethyl)phenyl]ethanol?
The InChIKey is HVTPBHVDBGMMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2O/c16-13-6-1-3-10(7-13)8-14(19)11-4-2-5-12(9-11)15(17)18/h1-7,9,14-15,19H,8H2.
What are the key properties of 2-(3-chlorophenyl)-1-[3-(difluoromethyl)phenyl]ethanol?
2-(3-chlorophenyl)-1-[3-(difluoromethyl)phenyl]ethanol has a molecular weight of 282.72 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-[3-(difluoromethyl)phenyl]ethanol is sourced from PubChem (CID 115527783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).