1-(3,4-dimethylphenyl)-3-phenylsulfanylpropan-2-ol

C17H20OS — CID 65142248

IUPAC1-(3,4-dimethylphenyl)-3-phenylsulfanylpropan-2-ol
SMILESCc1ccc(CC(O)CSc2ccccc2)cc1C
InChIInChI=1S/C17H20OS/c1-13-8-9-15(10-14(13)2)11-16(18)12-19-17-6-4-3-5-7-17/h3-10,16,18H,11-12H2,1-2H3
InChIKeyMROYSLGSPAYFDT-UHFFFAOYSA-N
MW272.41 g/mol
LogP4.00
Rot. Bonds5

About 1-(3,4-dimethylphenyl)-3-phenylsulfanylpropan-2-ol

1-(3,4-dimethylphenyl)-3-phenylsulfanylpropan-2-ol (PubChem CID 65142248) has the molecular formula C17H20OS and a molecular weight of 272.41 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-phenylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-phenylsulfanylpropan-2-ol
PubChem CID65142248
Molecular FormulaC17H20OS
Molecular Weight272.41 g/mol
Exact Mass272.12
IUPAC Name1-(3,4-dimethylphenyl)-3-phenylsulfanylpropan-2-ol
SMILESCc1ccc(CC(O)CSc2ccccc2)cc1C
InChIInChI=1S/C17H20OS/c1-13-8-9-15(10-14(13)2)11-16(18)12-19-17-6-4-3-5-7-17/h3-10,16,18H,11-12H2,1-2H3
InChIKeyMROYSLGSPAYFDT-UHFFFAOYSA-N
XLogP4.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-dimethylphenyl)-3-phenylsulfanylpropan-2-ol 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

1-(3,4-dimethylphenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
CID 66096318
1-(2-chlorophenyl)sulfanyl-3-(3,4-dimethylphenyl)propan-2-ol
CID 66153728
1-(4-ethylphenyl)-3-phenylsulfanylpropan-2-ol
CID 65141825
1-(4-methylphenyl)sulfanyl-3-phenylpropan-2-ol
CID 60722243
1-(3-methylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 66065371
1-(2-methoxyphenyl)-3-phenylsulfanylpropan-2-ol
CID 65142108
1-(3,5-dimethylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 66064590
4-(2-chloro-2-phenylethyl)-1,2-dimethylbenzene
CID 50888148
1-(dimethylamino)-3-(3,4-dimethylphenyl)propan-2-ol
CID 79087098
1-(2,5-dimethylphenyl)-3-(3-methylphenyl)sulfanylpropan-2-ol
CID 66088143
1-(3-bromophenyl)sulfanyl-3-(3,4-dimethylphenyl)propan-2-amine
CID 66160000
1-(1-ethylpyrazol-4-yl)-3-phenylsulfanylpropan-2-ol
CID 65141783

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-phenylsulfanylpropan-2-ol?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-phenylsulfanylpropan-2-ol (CID 65142248) is 1-(3,4-dimethylphenyl)-3-phenylsulfanylpropan-2-ol.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-phenylsulfanylpropan-2-ol?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-phenylsulfanylpropan-2-ol is Cc1ccc(CC(O)CSc2ccccc2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-phenylsulfanylpropan-2-ol?
The InChIKey is MROYSLGSPAYFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20OS/c1-13-8-9-15(10-14(13)2)11-16(18)12-19-17-6-4-3-5-7-17/h3-10,16,18H,11-12H2,1-2H3.
What are the key properties of 1-(3,4-dimethylphenyl)-3-phenylsulfanylpropan-2-ol?
1-(3,4-dimethylphenyl)-3-phenylsulfanylpropan-2-ol has a molecular weight of 272.41 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-phenylsulfanylpropan-2-ol is sourced from PubChem (CID 65142248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).