2-(1-benzothiophen-2-yl)-4-methylpent-3-en-2-ol

C14H16OS — CID 114910856

IUPAC2-(1-benzothiophen-2-yl)-4-methylpent-3-en-2-ol
SMILESCC(C)=CC(C)(O)c1cc2ccccc2s1
InChIInChI=1S/C14H16OS/c1-10(2)9-14(3,15)13-8-11-6-4-5-7-12(11)16-13/h4-9,15H,1-3H3
InChIKeyUESWWGXXCQWAQQ-UHFFFAOYSA-N
MW232.35 g/mol
LogP4.07
Rot. Bonds2

About 2-(1-benzothiophen-2-yl)-4-methylpent-3-en-2-ol

2-(1-benzothiophen-2-yl)-4-methylpent-3-en-2-ol (PubChem CID 114910856) has the molecular formula C14H16OS and a molecular weight of 232.35 g/mol. Its IUPAC name is 2-(1-benzothiophen-2-yl)-4-methylpent-3-en-2-ol.

Molecular Properties

Compound Name2-(1-benzothiophen-2-yl)-4-methylpent-3-en-2-ol
PubChem CID114910856
Molecular FormulaC14H16OS
Molecular Weight232.35 g/mol
Exact Mass232.09
IUPAC Name2-(1-benzothiophen-2-yl)-4-methylpent-3-en-2-ol
SMILESCC(C)=CC(C)(O)c1cc2ccccc2s1
InChIInChI=1S/C14H16OS/c1-10(2)9-14(3,15)13-8-11-6-4-5-7-12(11)16-13/h4-9,15H,1-3H3
InChIKeyUESWWGXXCQWAQQ-UHFFFAOYSA-N
XLogP4.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(1-benzothiophen-2-yl)-1-bromoethanol
CID 150482026
2-(1-benzothiophen-2-yl)but-3-yn-2-ol
CID 114910879
(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropanoic acid
CID 901528
1-(1-benzothiophen-2-yl)-1-(2-methylphenyl)ethanol
CID 114910776
bis(1-benzothiophen-2-yl)-[4-[bis(1-benzothiophen-2-yl)-hydroxymethyl]phenyl]methanol
CID 122216387
2-(1-benzothiophen-2-yl)-4-methylhexan-2-ol
CID 114910768
2-(1-benzothiophen-2-yl)-3-ethylpentan-2-ol
CID 114910806
2-(2,3-dimethylbutan-2-yl)-1-benzothiophene
CID 23150201
N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]acetamide
CID 99979783
1-(1-benzothiophen-2-yl)-1-cyclopentylethanol
CID 114910842
1-(1-benzothiophen-2-yl)-1-(4-chlorophenyl)ethanol
CID 114910893
1-(1-benzothiophen-2-yl)-1-cyclobutylethanol
CID 114910840

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-2-yl)-4-methylpent-3-en-2-ol?
The IUPAC name of 2-(1-benzothiophen-2-yl)-4-methylpent-3-en-2-ol (CID 114910856) is 2-(1-benzothiophen-2-yl)-4-methylpent-3-en-2-ol.
What is the SMILES notation for 2-(1-benzothiophen-2-yl)-4-methylpent-3-en-2-ol?
The canonical SMILES for 2-(1-benzothiophen-2-yl)-4-methylpent-3-en-2-ol is CC(C)=CC(C)(O)c1cc2ccccc2s1.
What is the InChIKey of 2-(1-benzothiophen-2-yl)-4-methylpent-3-en-2-ol?
The InChIKey is UESWWGXXCQWAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16OS/c1-10(2)9-14(3,15)13-8-11-6-4-5-7-12(11)16-13/h4-9,15H,1-3H3.
What are the key properties of 2-(1-benzothiophen-2-yl)-4-methylpent-3-en-2-ol?
2-(1-benzothiophen-2-yl)-4-methylpent-3-en-2-ol has a molecular weight of 232.35 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-2-yl)-4-methylpent-3-en-2-ol is sourced from PubChem (CID 114910856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).