1-(3,4-dimethylphenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol

C18H22OS — CID 66096318

IUPAC1-(3,4-dimethylphenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
SMILESCc1ccc(CC(O)CSc2ccccc2C)cc1C
InChIInChI=1S/C18H22OS/c1-13-8-9-16(10-15(13)3)11-17(19)12-20-18-7-5-4-6-14(18)2/h4-10,17,19H,11-12H2,1-3H3
InChIKeyDVCOMIWMZMFHLT-UHFFFAOYSA-N
MW286.44 g/mol
LogP4.31
Rot. Bonds5

About 1-(3,4-dimethylphenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol

1-(3,4-dimethylphenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol (PubChem CID 66096318) has the molecular formula C18H22OS and a molecular weight of 286.44 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
PubChem CID66096318
Molecular FormulaC18H22OS
Molecular Weight286.44 g/mol
Exact Mass286.14
IUPAC Name1-(3,4-dimethylphenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
SMILESCc1ccc(CC(O)CSc2ccccc2C)cc1C
InChIInChI=1S/C18H22OS/c1-13-8-9-16(10-15(13)3)11-17(19)12-20-18-7-5-4-6-14(18)2/h4-10,17,19H,11-12H2,1-3H3
InChIKeyDVCOMIWMZMFHLT-UHFFFAOYSA-N
XLogP4.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)sulfanyl-3-(3,4-dimethylphenyl)propan-2-ol
CID 66153728
1-(3,4-dimethylphenyl)-3-phenylsulfanylpropan-2-ol
CID 65142248
1-(2,5-difluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
CID 66096524
1-(2,6-dichlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
CID 66097992
1-(2-bromophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
CID 66096526
1-(5-ethyl-2-pyridinyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
CID 79745363
1-(ethylamino)-3-(2-methylphenyl)sulfanylpropan-2-ol
CID 60892013
1-(5-chloro-2-methoxyphenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
CID 66096098
1-(2-bromophenyl)sulfanyl-3-(4-iodophenyl)propan-2-ol
CID 66143470
1-(4-ethylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol
CID 66051511
1-(dimethylamino)-3-(3,4-dimethylphenyl)propan-2-ol
CID 79087098
4-[3-(2-chlorophenyl)sulfanyl-2-hydroxypropyl]phenol
CID 66154688

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol (CID 66096318) is 1-(3,4-dimethylphenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol is Cc1ccc(CC(O)CSc2ccccc2C)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol?
The InChIKey is DVCOMIWMZMFHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22OS/c1-13-8-9-16(10-15(13)3)11-17(19)12-20-18-7-5-4-6-14(18)2/h4-10,17,19H,11-12H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol?
1-(3,4-dimethylphenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol has a molecular weight of 286.44 g/mol, XLogP of 4.31, 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-(2-methylphenyl)sulfanylpropan-2-ol is sourced from PubChem (CID 66096318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).