2-(4-fluorophenyl)sulfanyl-1-(2-methoxy-3,4-dimethylphenyl)ethanol

C17H19FO2S — CID 103433160

IUPAC2-(4-fluorophenyl)sulfanyl-1-(2-methoxy-3,4-dimethylphenyl)ethanol
SMILESCOc1c(C(O)CSc2ccc(F)cc2)ccc(C)c1C
InChIInChI=1S/C17H19FO2S/c1-11-4-9-15(17(20-3)12(11)2)16(19)10-21-14-7-5-13(18)6-8-14/h4-9,16,19H,10H2,1-3H3
InChIKeyMOOSWLIMPGSNJU-UHFFFAOYSA-N
MW306.40 g/mol
LogP4.28
Rot. Bonds5

About 2-(4-fluorophenyl)sulfanyl-1-(2-methoxy-3,4-dimethylphenyl)ethanol

2-(4-fluorophenyl)sulfanyl-1-(2-methoxy-3,4-dimethylphenyl)ethanol (PubChem CID 103433160) has the molecular formula C17H19FO2S and a molecular weight of 306.40 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-1-(2-methoxy-3,4-dimethylphenyl)ethanol.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-1-(2-methoxy-3,4-dimethylphenyl)ethanol
PubChem CID103433160
Molecular FormulaC17H19FO2S
Molecular Weight306.40 g/mol
Exact Mass306.11
IUPAC Name2-(4-fluorophenyl)sulfanyl-1-(2-methoxy-3,4-dimethylphenyl)ethanol
SMILESCOc1c(C(O)CSc2ccc(F)cc2)ccc(C)c1C
InChIInChI=1S/C17H19FO2S/c1-11-4-9-15(17(20-3)12(11)2)16(19)10-21-14-7-5-13(18)6-8-14/h4-9,16,19H,10H2,1-3H3
InChIKeyMOOSWLIMPGSNJU-UHFFFAOYSA-N
XLogP4.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-3,4-dimethylphenyl)-2-methylsulfanylethanol
CID 103433114
2-(4-bromophenyl)sulfanyl-1-(2-methoxy-3,4-dimethylphenyl)ethanamine
CID 103433633
N-[(4-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methyl]ethanamine
CID 103433284
1-(2-methoxy-3,4-dimethylphenyl)-4-methylpentan-1-ol
CID 103433099
(3-fluoro-5-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanol
CID 103433209
1-(2,5-difluorophenyl)-2-(4-fluorophenyl)sulfanylethanol
CID 60980220
2-(ethylamino)-1-(2-methoxy-3,4-dimethylphenyl)ethanol
CID 103434593
1-(2-methoxy-3,4-dimethylphenyl)decan-1-ol
CID 103435642
1-(2-methoxy-3,4-dimethylphenyl)-2-(2-methoxyphenyl)ethanol
CID 103433092
1-(2,4-dimethylphenyl)-2-(4-methylphenyl)sulfanylethanol
CID 66064203
(2,6-difluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanol
CID 103432506
2-(4-fluorophenyl)sulfanyl-1-(3-methylphenyl)ethanol
CID 66071789

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-1-(2-methoxy-3,4-dimethylphenyl)ethanol?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-1-(2-methoxy-3,4-dimethylphenyl)ethanol (CID 103433160) is 2-(4-fluorophenyl)sulfanyl-1-(2-methoxy-3,4-dimethylphenyl)ethanol.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-1-(2-methoxy-3,4-dimethylphenyl)ethanol?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-1-(2-methoxy-3,4-dimethylphenyl)ethanol is COc1c(C(O)CSc2ccc(F)cc2)ccc(C)c1C.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-1-(2-methoxy-3,4-dimethylphenyl)ethanol?
The InChIKey is MOOSWLIMPGSNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FO2S/c1-11-4-9-15(17(20-3)12(11)2)16(19)10-21-14-7-5-13(18)6-8-14/h4-9,16,19H,10H2,1-3H3.
What are the key properties of 2-(4-fluorophenyl)sulfanyl-1-(2-methoxy-3,4-dimethylphenyl)ethanol?
2-(4-fluorophenyl)sulfanyl-1-(2-methoxy-3,4-dimethylphenyl)ethanol has a molecular weight of 306.40 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-1-(2-methoxy-3,4-dimethylphenyl)ethanol is sourced from PubChem (CID 103433160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).