3-(4-methylphenyl)-3-thiophen-2-ylpropan-1-ol

C14H16OS — CID 82082551

IUPAC3-(4-methylphenyl)-3-thiophen-2-ylpropan-1-ol
SMILESCc1ccc(C(CCO)c2cccs2)cc1
InChIInChI=1S/C14H16OS/c1-11-4-6-12(7-5-11)13(8-9-15)14-3-2-10-16-14/h2-7,10,13,15H,8-9H2,1H3
InChIKeyNFKVONLDLCBVTK-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.57
Rot. Bonds4

About 3-(4-methylphenyl)-3-thiophen-2-ylpropan-1-ol

3-(4-methylphenyl)-3-thiophen-2-ylpropan-1-ol (PubChem CID 82082551) has the molecular formula C14H16OS and a molecular weight of 232.35 g/mol. Its IUPAC name is 3-(4-methylphenyl)-3-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-(4-methylphenyl)-3-thiophen-2-ylpropan-1-ol
PubChem CID82082551
Molecular FormulaC14H16OS
Molecular Weight232.35 g/mol
Exact Mass232.09
IUPAC Name3-(4-methylphenyl)-3-thiophen-2-ylpropan-1-ol
SMILESCc1ccc(C(CCO)c2cccs2)cc1
InChIInChI=1S/C14H16OS/c1-11-4-6-12(7-5-11)13(8-9-15)14-3-2-10-16-14/h2-7,10,13,15H,8-9H2,1H3
InChIKeyNFKVONLDLCBVTK-UHFFFAOYSA-N
XLogP3.57
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 ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)propan-1-ol
CID 82092111
1-(furan-2-yl)-3-(4-methylphenyl)-3-thiophen-2-ylpropan-1-one
CID 23824722
3-(4-methylphenyl)-3-(1H-pyrrol-2-yl)propan-1-ol
CID 102106357
(3S)-3-chloro-3-thiophen-2-ylpropan-1-ol
CID 69099152
(3S)-3-(furan-2-yl)-3-(4-methylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
CID 948883
3-(furan-2-yl)-3-(4-methylphenyl)-N-(1-thiophen-2-ylethyl)propan-1-amine
CID 3366871
[(3S)-3-(furan-2-yl)-3-(4-methylphenyl)propyl]-[(1S)-1-thiophen-2-ylethyl]azanium
CID 7411959
1-(4-methylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398298
1-(4-methylphenyl)-N-(1-thiophen-2-ylethyl)propan-1-amine
CID 43206039
ethyl (3S)-3-(4-hydroxyphenyl)-3-thiophen-2-ylpropanoate
CID 129383270
N-[3-(furan-2-yl)-3-(4-methylphenyl)propyl]-N-(1-thiophen-2-ylethyl)acetamide
CID 3838226
N-[(4-methylphenyl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine
CID 43224410

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-3-thiophen-2-ylpropan-1-ol?
The IUPAC name of 3-(4-methylphenyl)-3-thiophen-2-ylpropan-1-ol (CID 82082551) is 3-(4-methylphenyl)-3-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for 3-(4-methylphenyl)-3-thiophen-2-ylpropan-1-ol?
The canonical SMILES for 3-(4-methylphenyl)-3-thiophen-2-ylpropan-1-ol is Cc1ccc(C(CCO)c2cccs2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-3-thiophen-2-ylpropan-1-ol?
The InChIKey is NFKVONLDLCBVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16OS/c1-11-4-6-12(7-5-11)13(8-9-15)14-3-2-10-16-14/h2-7,10,13,15H,8-9H2,1H3.
What are the key properties of 3-(4-methylphenyl)-3-thiophen-2-ylpropan-1-ol?
3-(4-methylphenyl)-3-thiophen-2-ylpropan-1-ol has a molecular weight of 232.35 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-3-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 82082551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).