1-(5-chloro-2-methoxyphenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol

C17H19ClO2S — CID 66096098

IUPAC1-(5-chloro-2-methoxyphenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
SMILESCOc1ccc(Cl)cc1CC(O)CSc1ccccc1C
InChIInChI=1S/C17H19ClO2S/c1-12-5-3-4-6-17(12)21-11-15(19)10-13-9-14(18)7-8-16(13)20-2/h3-9,15,19H,10-11H2,1-2H3
InChIKeyJGXSFBKGULKELE-UHFFFAOYSA-N
MW322.86 g/mol
LogP4.35
Rot. Bonds6

About 1-(5-chloro-2-methoxyphenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol

1-(5-chloro-2-methoxyphenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol (PubChem CID 66096098) has the molecular formula C17H19ClO2S and a molecular weight of 322.86 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
PubChem CID66096098
Molecular FormulaC17H19ClO2S
Molecular Weight322.86 g/mol
Exact Mass322.08
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
SMILESCOc1ccc(Cl)cc1CC(O)CSc1ccccc1C
InChIInChI=1S/C17H19ClO2S/c1-12-5-3-4-6-17(12)21-11-15(19)10-13-9-14(18)7-8-16(13)20-2/h3-9,15,19H,10-11H2,1-2H3
InChIKeyJGXSFBKGULKELE-UHFFFAOYSA-N
XLogP4.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.86
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)propan-2-ol
CID 62608604
1-(2,5-difluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
CID 66096524
1-(5-chloro-2-methoxyphenyl)-3-propylsulfanylpropan-2-ol
CID 65129834
1-(5-chloro-2-methoxyphenyl)-4-methylsulfanylbutan-2-ol
CID 65148808
1-(5-chloro-2-methoxyphenyl)-2-(2-methylphenyl)sulfanylethanone
CID 66095674
2-(5-chloro-2-methoxyphenyl)-1-(2-fluoro-3-methylphenyl)ethanol
CID 115788745
1-(4-bromo-3,5-dimethylphenyl)-2-(5-chloro-2-methoxyphenyl)ethanol
CID 114330012
1-(3,4-dimethylphenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
CID 66096318
1-(2-bromophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
CID 66096526
1-(2,6-dichlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
CID 66097992
1-(4-chlorophenyl)-3-(2-methoxy-5-methylphenyl)propan-2-ol
CID 62161181
1-(2,5-dichlorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol
CID 66052488

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol (CID 66096098) is 1-(5-chloro-2-methoxyphenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol is COc1ccc(Cl)cc1CC(O)CSc1ccccc1C.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol?
The InChIKey is JGXSFBKGULKELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClO2S/c1-12-5-3-4-6-17(12)21-11-15(19)10-13-9-14(18)7-8-16(13)20-2/h3-9,15,19H,10-11H2,1-2H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol?
1-(5-chloro-2-methoxyphenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol has a molecular weight of 322.86 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol is sourced from PubChem (CID 66096098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).