4-phenyl-1-thiophen-2-ylpentan-3-ol

C15H18OS — CID 65149511

IUPAC4-phenyl-1-thiophen-2-ylpentan-3-ol
SMILESCC(c1ccccc1)C(O)CCc1cccs1
InChIInChI=1S/C15H18OS/c1-12(13-6-3-2-4-7-13)15(16)10-9-14-8-5-11-17-14/h2-8,11-12,15-16H,9-10H2,1H3
InChIKeyIZYYQGBVQONWGT-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.85
Rot. Bonds5

About 4-phenyl-1-thiophen-2-ylpentan-3-ol

4-phenyl-1-thiophen-2-ylpentan-3-ol (PubChem CID 65149511) has the molecular formula C15H18OS and a molecular weight of 246.38 g/mol. Its IUPAC name is 4-phenyl-1-thiophen-2-ylpentan-3-ol.

Molecular Properties

Compound Name4-phenyl-1-thiophen-2-ylpentan-3-ol
PubChem CID65149511
Molecular FormulaC15H18OS
Molecular Weight246.38 g/mol
Exact Mass246.11
IUPAC Name4-phenyl-1-thiophen-2-ylpentan-3-ol
SMILESCC(c1ccccc1)C(O)CCc1cccs1
InChIInChI=1S/C15H18OS/c1-12(13-6-3-2-4-7-13)15(16)10-9-14-8-5-11-17-14/h2-8,11-12,15-16H,9-10H2,1H3
InChIKeyIZYYQGBVQONWGT-UHFFFAOYSA-N
XLogP3.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-1-thiophen-2-ylhexan-3-ol
CID 65148531
5,5-dimethyl-1-thiophen-2-ylhexane-3,4-diol
CID 103457143
4-(aminomethyl)-5-methyl-1-thiophen-2-ylhexan-3-ol
CID 107443143
2-methyl-6-thiophen-2-ylhexan-3-ol
CID 63774630
2-phenyl-N-propan-2-yl-4-thiophen-2-ylbutan-1-amine
CID 65430973
1-phenyl-3-thiophen-2-ylpropane-1,2-diol
CID 103459541
(2R)-2-phenylheptan-3-ol
CID 91322845
5,6,6-trimethyl-1-thiophen-2-ylheptan-3-ol
CID 115800483
3-phenyl-1-thiophen-2-ylpentan-2-ol
CID 115785629
5-methyl-1-thiophen-2-ylheptan-3-ol
CID 115800369
4-ethyl-4-phenyl-1-thiophen-2-ylhexan-3-ol
CID 63773505
(2S)-N-methyl-4-thiophen-2-ylbutan-2-amine
CID 42077642

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-thiophen-2-ylpentan-3-ol?
The IUPAC name of 4-phenyl-1-thiophen-2-ylpentan-3-ol (CID 65149511) is 4-phenyl-1-thiophen-2-ylpentan-3-ol.
What is the SMILES notation for 4-phenyl-1-thiophen-2-ylpentan-3-ol?
The canonical SMILES for 4-phenyl-1-thiophen-2-ylpentan-3-ol is CC(c1ccccc1)C(O)CCc1cccs1.
What is the InChIKey of 4-phenyl-1-thiophen-2-ylpentan-3-ol?
The InChIKey is IZYYQGBVQONWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18OS/c1-12(13-6-3-2-4-7-13)15(16)10-9-14-8-5-11-17-14/h2-8,11-12,15-16H,9-10H2,1H3.
What are the key properties of 4-phenyl-1-thiophen-2-ylpentan-3-ol?
4-phenyl-1-thiophen-2-ylpentan-3-ol has a molecular weight of 246.38 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-thiophen-2-ylpentan-3-ol is sourced from PubChem (CID 65149511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).