3-(4-methylphenyl)-1-(2-methylthiophen-3-yl)propan-1-ol

C15H18OS — CID 102842310

IUPAC3-(4-methylphenyl)-1-(2-methylthiophen-3-yl)propan-1-ol
SMILESCc1ccc(CCC(O)c2ccsc2C)cc1
InChIInChI=1S/C15H18OS/c1-11-3-5-13(6-4-11)7-8-15(16)14-9-10-17-12(14)2/h3-6,9-10,15-16H,7-8H2,1-2H3
InChIKeyPZOYAIMERIYWHS-UHFFFAOYSA-N
MW246.38 g/mol
LogP4.03
Rot. Bonds4

About 3-(4-methylphenyl)-1-(2-methylthiophen-3-yl)propan-1-ol

3-(4-methylphenyl)-1-(2-methylthiophen-3-yl)propan-1-ol (PubChem CID 102842310) has the molecular formula C15H18OS and a molecular weight of 246.38 g/mol. Its IUPAC name is 3-(4-methylphenyl)-1-(2-methylthiophen-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-(4-methylphenyl)-1-(2-methylthiophen-3-yl)propan-1-ol
PubChem CID102842310
Molecular FormulaC15H18OS
Molecular Weight246.38 g/mol
Exact Mass246.11
IUPAC Name3-(4-methylphenyl)-1-(2-methylthiophen-3-yl)propan-1-ol
SMILESCc1ccc(CCC(O)c2ccsc2C)cc1
InChIInChI=1S/C15H18OS/c1-11-3-5-13(6-4-11)7-8-15(16)14-9-10-17-12(14)2/h3-6,9-10,15-16H,7-8H2,1-2H3
InChIKeyPZOYAIMERIYWHS-UHFFFAOYSA-N
XLogP4.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzothiophen-7-yl)-3-(4-methylphenyl)propan-1-ol
CID 105119163
N-ethyl-3-(4-methylphenyl)-1-(2-methylthiophen-3-yl)propan-1-amine
CID 102840839
4-methoxy-1-(2-methylthiophen-3-yl)butan-1-ol
CID 102831325
1-(2-chlorophenyl)-3-(4-methylphenyl)propan-1-ol
CID 105079773
3-cyclopentyl-1-(2-methylthiophen-3-yl)propan-1-ol
CID 102842471
1-(2-methylthiophen-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 102842312
1-(4-ethylphenyl)-3-(4-methylphenyl)propan-1-ol
CID 105084361
1-(2-methylthiophen-3-yl)-2-propan-2-yloxyethanol
CID 102842375
5-(4-methylphenyl)pentane-2,3-diol
CID 67119841
1,4-bis(4-methylphenyl)butan-2-ol
CID 63016226
1-(3,5-difluorophenyl)-3-(4-methylphenyl)propan-1-ol
CID 105093256
1-(3,4-dimethylphenyl)-3-(4-methylphenyl)propan-1-ol
CID 105091644

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-1-(2-methylthiophen-3-yl)propan-1-ol?
The IUPAC name of 3-(4-methylphenyl)-1-(2-methylthiophen-3-yl)propan-1-ol (CID 102842310) is 3-(4-methylphenyl)-1-(2-methylthiophen-3-yl)propan-1-ol.
What is the SMILES notation for 3-(4-methylphenyl)-1-(2-methylthiophen-3-yl)propan-1-ol?
The canonical SMILES for 3-(4-methylphenyl)-1-(2-methylthiophen-3-yl)propan-1-ol is Cc1ccc(CCC(O)c2ccsc2C)cc1.
What is the InChIKey of 3-(4-methylphenyl)-1-(2-methylthiophen-3-yl)propan-1-ol?
The InChIKey is PZOYAIMERIYWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18OS/c1-11-3-5-13(6-4-11)7-8-15(16)14-9-10-17-12(14)2/h3-6,9-10,15-16H,7-8H2,1-2H3.
What are the key properties of 3-(4-methylphenyl)-1-(2-methylthiophen-3-yl)propan-1-ol?
3-(4-methylphenyl)-1-(2-methylthiophen-3-yl)propan-1-ol has a molecular weight of 246.38 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-1-(2-methylthiophen-3-yl)propan-1-ol is sourced from PubChem (CID 102842310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).