1-(3-methylthiophen-2-yl)-1-phenylpropan-1-ol

C14H16OS — CID 79990862

IUPAC1-(3-methylthiophen-2-yl)-1-phenylpropan-1-ol
SMILESCCC(O)(c1ccccc1)c1sccc1C
InChIInChI=1S/C14H16OS/c1-3-14(15,12-7-5-4-6-8-12)13-11(2)9-10-16-13/h4-10,15H,3H2,1-2H3
InChIKeyCZFWHKWOZJNZCD-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.70
Rot. Bonds3

About 1-(3-methylthiophen-2-yl)-1-phenylpropan-1-ol

1-(3-methylthiophen-2-yl)-1-phenylpropan-1-ol (PubChem CID 79990862) has the molecular formula C14H16OS and a molecular weight of 232.35 g/mol. Its IUPAC name is 1-(3-methylthiophen-2-yl)-1-phenylpropan-1-ol.

Molecular Properties

Compound Name1-(3-methylthiophen-2-yl)-1-phenylpropan-1-ol
PubChem CID79990862
Molecular FormulaC14H16OS
Molecular Weight232.35 g/mol
Exact Mass232.09
IUPAC Name1-(3-methylthiophen-2-yl)-1-phenylpropan-1-ol
SMILESCCC(O)(c1ccccc1)c1sccc1C
InChIInChI=1S/C14H16OS/c1-3-14(15,12-7-5-4-6-8-12)13-11(2)9-10-16-13/h4-10,15H,3H2,1-2H3
InChIKeyCZFWHKWOZJNZCD-UHFFFAOYSA-N
XLogP3.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylthiophen-2-yl)-1-phenylpropan-1-amine
CID 79992050
1-(3-methylthiophen-2-yl)-1-phenylethanol
CID 63991510
(2S)-2-(3-methylthiophen-2-yl)butan-2-amine
CID 130055008
1-(3-methylthiophen-2-yl)-1-(3-propylphenyl)ethanol
CID 116542561
2-(1-hydroxy-1-phenylpropyl)-5-methylbenzene-1,4-diol
CID 10491430
1-[(3-methylthiophen-2-yl)methylamino]-2-phenylpropan-2-ol
CID 78956096
1-(4-ethylphenyl)-2-(3-methylthiophen-2-yl)propan-2-ol
CID 63990522
1-(3-chlorothiophen-2-yl)-1-phenylethanol
CID 107358959
3-hydroxy-3-(3-methylthiophen-2-yl)butanenitrile
CID 79118234
2-(3-methylthiophen-2-yl)pent-4-en-2-ol
CID 79734594
1-(2,6-difluorophenyl)-2-(3-methylthiophen-2-yl)propan-2-ol
CID 114931026
1-(3-methylphenyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 79991084

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylthiophen-2-yl)-1-phenylpropan-1-ol?
The IUPAC name of 1-(3-methylthiophen-2-yl)-1-phenylpropan-1-ol (CID 79990862) is 1-(3-methylthiophen-2-yl)-1-phenylpropan-1-ol.
What is the SMILES notation for 1-(3-methylthiophen-2-yl)-1-phenylpropan-1-ol?
The canonical SMILES for 1-(3-methylthiophen-2-yl)-1-phenylpropan-1-ol is CCC(O)(c1ccccc1)c1sccc1C.
What is the InChIKey of 1-(3-methylthiophen-2-yl)-1-phenylpropan-1-ol?
The InChIKey is CZFWHKWOZJNZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16OS/c1-3-14(15,12-7-5-4-6-8-12)13-11(2)9-10-16-13/h4-10,15H,3H2,1-2H3.
What are the key properties of 1-(3-methylthiophen-2-yl)-1-phenylpropan-1-ol?
1-(3-methylthiophen-2-yl)-1-phenylpropan-1-ol has a molecular weight of 232.35 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylthiophen-2-yl)-1-phenylpropan-1-ol is sourced from PubChem (CID 79990862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).