1-(2-methylphenyl)-3-thiophen-3-ylpropan-2-ol

C14H16OS — CID 62607480

IUPAC1-(2-methylphenyl)-3-thiophen-3-ylpropan-2-ol
SMILESCc1ccccc1CC(O)Cc1ccsc1
InChIInChI=1S/C14H16OS/c1-11-4-2-3-5-13(11)9-14(15)8-12-6-7-16-10-12/h2-7,10,14-15H,8-9H2,1H3
InChIKeyLIEPIZCDZDEDDN-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.20
Rot. Bonds4

About 1-(2-methylphenyl)-3-thiophen-3-ylpropan-2-ol

1-(2-methylphenyl)-3-thiophen-3-ylpropan-2-ol (PubChem CID 62607480) has the molecular formula C14H16OS and a molecular weight of 232.35 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-thiophen-3-ylpropan-2-ol.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-thiophen-3-ylpropan-2-ol
PubChem CID62607480
Molecular FormulaC14H16OS
Molecular Weight232.35 g/mol
Exact Mass232.09
IUPAC Name1-(2-methylphenyl)-3-thiophen-3-ylpropan-2-ol
SMILESCc1ccccc1CC(O)Cc1ccsc1
InChIInChI=1S/C14H16OS/c1-11-4-2-3-5-13(11)9-14(15)8-12-6-7-16-10-12/h2-7,10,14-15H,8-9H2,1H3
InChIKeyLIEPIZCDZDEDDN-UHFFFAOYSA-N
XLogP3.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(chloromethyl)-3-(2-methylphenyl)propyl]thiophene
CID 66049250
1-(2-methylphenyl)-3-(4-methylphenyl)propan-2-ol
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1-(1-benzothiophen-3-yl)-3-thiophen-3-ylpropan-2-ol
CID 105083372
1-(2-fluoro-3-methoxyphenyl)-3-thiophen-3-ylpropan-2-ol
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1-(dimethylamino)-3-thiophen-3-ylpropan-2-ol
CID 79087960
1-(4-iodophenyl)-3-thiophen-3-ylpropan-2-ol
CID 105101095
1-(dimethylamino)-3-(2-methylphenyl)propan-2-ol
CID 79087104
4-methoxy-1-thiophen-3-ylbutan-2-ol
CID 62606552
3-(2-methylphenyl)-1-thiophen-3-ylpropan-1-ol
CID 105102698
3-methyl-1-thiophen-3-ylbutan-2-ol
CID 62605936
1-thiophen-3-ylbutane-2,3-diol
CID 103452838

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3-thiophen-3-ylpropan-2-ol?
The IUPAC name of 1-(2-methylphenyl)-3-thiophen-3-ylpropan-2-ol (CID 62607480) is 1-(2-methylphenyl)-3-thiophen-3-ylpropan-2-ol.
What is the SMILES notation for 1-(2-methylphenyl)-3-thiophen-3-ylpropan-2-ol?
The canonical SMILES for 1-(2-methylphenyl)-3-thiophen-3-ylpropan-2-ol is Cc1ccccc1CC(O)Cc1ccsc1.
What is the InChIKey of 1-(2-methylphenyl)-3-thiophen-3-ylpropan-2-ol?
The InChIKey is LIEPIZCDZDEDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16OS/c1-11-4-2-3-5-13(11)9-14(15)8-12-6-7-16-10-12/h2-7,10,14-15H,8-9H2,1H3.
What are the key properties of 1-(2-methylphenyl)-3-thiophen-3-ylpropan-2-ol?
1-(2-methylphenyl)-3-thiophen-3-ylpropan-2-ol has a molecular weight of 232.35 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3-thiophen-3-ylpropan-2-ol is sourced from PubChem (CID 62607480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).