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

C14H16OS — CID 105102698

IUPAC3-(2-methylphenyl)-1-thiophen-3-ylpropan-1-ol
SMILESCc1ccccc1CCC(O)c1ccsc1
InChIInChI=1S/C14H16OS/c1-11-4-2-3-5-12(11)6-7-14(15)13-8-9-16-10-13/h2-5,8-10,14-15H,6-7H2,1H3
InChIKeyJSRURRIUEMRDOP-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.72
Rot. Bonds4

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

3-(2-methylphenyl)-1-thiophen-3-ylpropan-1-ol (PubChem CID 105102698) has the molecular formula C14H16OS and a molecular weight of 232.35 g/mol. Its IUPAC name is 3-(2-methylphenyl)-1-thiophen-3-ylpropan-1-ol.

Molecular Properties

Compound Name3-(2-methylphenyl)-1-thiophen-3-ylpropan-1-ol
PubChem CID105102698
Molecular FormulaC14H16OS
Molecular Weight232.35 g/mol
Exact Mass232.09
IUPAC Name3-(2-methylphenyl)-1-thiophen-3-ylpropan-1-ol
SMILESCc1ccccc1CCC(O)c1ccsc1
InChIInChI=1S/C14H16OS/c1-11-4-2-3-5-12(11)6-7-14(15)13-8-9-16-10-13/h2-5,8-10,14-15H,6-7H2,1H3
InChIKeyJSRURRIUEMRDOP-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(furan-3-yl)-3-(2-methylphenyl)propan-1-ol
CID 105097163
5-methyl-1-thiophen-3-ylhexan-1-ol
CID 83158063
3-amino-1-thiophen-3-ylpropan-1-ol
CID 65185005
3-methoxy-1-thiophen-3-ylpropan-1-ol
CID 62608736
1-(5-chlorothiophen-2-yl)-3-(2-methylphenyl)propan-1-ol
CID 105119687
1-(2-methylphenyl)-3-thiophen-3-ylpropan-2-ol
CID 62607480
4,4,4-trifluoro-1-thiophen-3-ylbutan-1-ol
CID 64565518
N-methyl-N-(2-methylphenyl)-1-thiophen-3-ylethane-1,2-diamine
CID 62004095
N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(2-methylphenyl)oxamide
CID 90496639
4-[3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]butyl]phenol
CID 104861996
N-(3-hydroxy-3-thiophen-3-ylpropyl)-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 121132245
N-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-methylphenoxy)propanamide
CID 103771719

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-1-thiophen-3-ylpropan-1-ol?
The IUPAC name of 3-(2-methylphenyl)-1-thiophen-3-ylpropan-1-ol (CID 105102698) is 3-(2-methylphenyl)-1-thiophen-3-ylpropan-1-ol.
What is the SMILES notation for 3-(2-methylphenyl)-1-thiophen-3-ylpropan-1-ol?
The canonical SMILES for 3-(2-methylphenyl)-1-thiophen-3-ylpropan-1-ol is Cc1ccccc1CCC(O)c1ccsc1.
What is the InChIKey of 3-(2-methylphenyl)-1-thiophen-3-ylpropan-1-ol?
The InChIKey is JSRURRIUEMRDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16OS/c1-11-4-2-3-5-12(11)6-7-14(15)13-8-9-16-10-13/h2-5,8-10,14-15H,6-7H2,1H3.
What are the key properties of 3-(2-methylphenyl)-1-thiophen-3-ylpropan-1-ol?
3-(2-methylphenyl)-1-thiophen-3-ylpropan-1-ol has a molecular weight of 232.35 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-1-thiophen-3-ylpropan-1-ol is sourced from PubChem (CID 105102698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).