2-(2,3-dichlorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanol

C15H12Cl2F2O2 — CID 107312488

IUPAC2-(2,3-dichlorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanol
SMILESOC(Cc1cccc(Cl)c1Cl)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H12Cl2F2O2/c16-12-6-2-4-10(14(12)17)8-13(20)9-3-1-5-11(7-9)21-15(18)19/h1-7,13,15,20H,8H2
InChIKeySXGWNTDPSPGSFY-UHFFFAOYSA-N
MW333.16 g/mol
LogP4.87
Rot. Bonds5

About 2-(2,3-dichlorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanol

2-(2,3-dichlorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanol (PubChem CID 107312488) has the molecular formula C15H12Cl2F2O2 and a molecular weight of 333.16 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanol.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanol
PubChem CID107312488
Molecular FormulaC15H12Cl2F2O2
Molecular Weight333.16 g/mol
Exact Mass332.02
IUPAC Name2-(2,3-dichlorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanol
SMILESOC(Cc1cccc(Cl)c1Cl)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H12Cl2F2O2/c16-12-6-2-4-10(14(12)17)8-13(20)9-3-1-5-11(7-9)21-15(18)19/h1-7,13,15,20H,8H2
InChIKeySXGWNTDPSPGSFY-UHFFFAOYSA-N
XLogP4.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.16
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-2-fluorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanol
CID 103053453
(2,3-dichlorophenyl)-[3-(difluoromethoxy)phenyl]methanol
CID 115792966
1-[3-(difluoromethoxy)phenyl]propan-1-ol
CID 115787675
1-[3-(difluoromethoxy)phenyl]-2-(3,5-dimethylphenyl)ethanol
CID 114980286
1-[3-(difluoromethoxy)phenyl]but-3-yn-1-ol
CID 115840010
1-[3-(difluoromethoxy)phenyl]hex-5-yn-1-ol
CID 115831710
2-(2-chlorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylethanamine
CID 61077463
2-(2,3-dichlorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 107307527
2-(2,6-dichlorophenyl)-1-(3-propan-2-yloxyphenyl)ethanol
CID 65145651
1-(3-bromo-4-methylphenyl)-2-(2,3-dichlorophenyl)ethanol
CID 107307685
1-(1,3-benzodioxol-5-yl)-2-(2,3-dichlorophenyl)ethanol
CID 107307427
1-[3-(difluoromethoxy)phenyl]pent-4-en-1-ol
CID 115804584

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanol?
The IUPAC name of 2-(2,3-dichlorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanol (CID 107312488) is 2-(2,3-dichlorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanol.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanol?
The canonical SMILES for 2-(2,3-dichlorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanol is OC(Cc1cccc(Cl)c1Cl)c1cccc(OC(F)F)c1.
What is the InChIKey of 2-(2,3-dichlorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanol?
The InChIKey is SXGWNTDPSPGSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2F2O2/c16-12-6-2-4-10(14(12)17)8-13(20)9-3-1-5-11(7-9)21-15(18)19/h1-7,13,15,20H,8H2.
What are the key properties of 2-(2,3-dichlorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanol?
2-(2,3-dichlorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanol has a molecular weight of 333.16 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanol is sourced from PubChem (CID 107312488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).