2-(benzenesulfinyl)-2,2-difluoro-1-(4-methoxyphenyl)ethanol

C15H14F2O3S — CID 11638185

IUPAC2-(benzenesulfinyl)-2,2-difluoro-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)C(F)(F)S(=O)c2ccccc2)cc1
InChIInChI=1S/C15H14F2O3S/c1-20-12-9-7-11(8-10-12)14(18)15(16,17)21(19)13-5-3-2-4-6-13/h2-10,14,18H,1H3
InChIKeyJRACSDSYORVJQE-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.13
Rot. Bonds5

About 2-(benzenesulfinyl)-2,2-difluoro-1-(4-methoxyphenyl)ethanol

2-(benzenesulfinyl)-2,2-difluoro-1-(4-methoxyphenyl)ethanol (PubChem CID 11638185) has the molecular formula C15H14F2O3S and a molecular weight of 312.34 g/mol. Its IUPAC name is 2-(benzenesulfinyl)-2,2-difluoro-1-(4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(benzenesulfinyl)-2,2-difluoro-1-(4-methoxyphenyl)ethanol
PubChem CID11638185
Molecular FormulaC15H14F2O3S
Molecular Weight312.34 g/mol
Exact Mass312.06
IUPAC Name2-(benzenesulfinyl)-2,2-difluoro-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)C(F)(F)S(=O)c2ccccc2)cc1
InChIInChI=1S/C15H14F2O3S/c1-20-12-9-7-11(8-10-12)14(18)15(16,17)21(19)13-5-3-2-4-6-13/h2-10,14,18H,1H3
InChIKeyJRACSDSYORVJQE-UHFFFAOYSA-N
XLogP3.13
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(benzenesulfinyl)-2,2-difluoro-1-(4-methoxyphenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-difluoro-1-(4-methoxyphenyl)-2-phenylsulfanylethanol
CID 11572951
1,1,1-trifluoro-3-(4-methoxyphenyl)-3-phenylpropan-2-one
CID 15893139
diphenylmethanol;4-methoxybenzenesulfinic acid
CID 70461534
1-[1-(benzenesulfinyl)-3,3,3-trifluoroprop-1-en-2-yl]-4-methoxybenzene
CID 118270621
2-(benzenesulfinyl)-2,2-dichloro-1-(2-chloro-5-methoxyphenyl)ethanol
CID 134876085
(2S,3S)-1,1,1-trifluoro-5-(4-methoxyphenyl)-3-[(S)-phenylsulfinyl]pentan-2-ol
CID 11864701
(2S)-4,4,4-trifluoro-1-(4-methoxyphenyl)-2-phenylbutan-1-one
CID 129404550
3,3,3-trifluoro-1-(4-methoxyphenyl)-2-phenylpropan-1-one
CID 54202264
2-methoxy-1-(4-methoxyphenyl)-2-methylpropan-1-ol
CID 12658876
S-tert-butyl 2,2-difluoro-3-hydroxy-3-(4-methoxyphenyl)propanethioate
CID 10780819
(1R,2S)-2-(4-methoxyphenyl)-1-phenylbut-3-en-1-ol
CID 134903492
(2R)-4,4,4-trifluoro-2-(4-methoxyphenyl)butanoic acid
CID 125456327

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfinyl)-2,2-difluoro-1-(4-methoxyphenyl)ethanol?
The IUPAC name of 2-(benzenesulfinyl)-2,2-difluoro-1-(4-methoxyphenyl)ethanol (CID 11638185) is 2-(benzenesulfinyl)-2,2-difluoro-1-(4-methoxyphenyl)ethanol.
What is the SMILES notation for 2-(benzenesulfinyl)-2,2-difluoro-1-(4-methoxyphenyl)ethanol?
The canonical SMILES for 2-(benzenesulfinyl)-2,2-difluoro-1-(4-methoxyphenyl)ethanol is COc1ccc(C(O)C(F)(F)S(=O)c2ccccc2)cc1.
What is the InChIKey of 2-(benzenesulfinyl)-2,2-difluoro-1-(4-methoxyphenyl)ethanol?
The InChIKey is JRACSDSYORVJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2O3S/c1-20-12-9-7-11(8-10-12)14(18)15(16,17)21(19)13-5-3-2-4-6-13/h2-10,14,18H,1H3.
What are the key properties of 2-(benzenesulfinyl)-2,2-difluoro-1-(4-methoxyphenyl)ethanol?
2-(benzenesulfinyl)-2,2-difluoro-1-(4-methoxyphenyl)ethanol has a molecular weight of 312.34 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfinyl)-2,2-difluoro-1-(4-methoxyphenyl)ethanol is sourced from PubChem (CID 11638185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).