2-(1-benzothiophen-7-yl)hex-5-en-2-ol

C14H16OS — CID 104656329

IUPAC2-(1-benzothiophen-7-yl)hex-5-en-2-ol
SMILESC=CCCC(C)(O)c1cccc2ccsc12
InChIInChI=1S/C14H16OS/c1-3-4-9-14(2,15)12-7-5-6-11-8-10-16-13(11)12/h3,5-8,10,15H,1,4,9H2,2H3
InChIKeyBJXVMUMVLBXBRM-UHFFFAOYSA-N
MW232.35 g/mol
LogP4.07
Rot. Bonds4

About 2-(1-benzothiophen-7-yl)hex-5-en-2-ol

2-(1-benzothiophen-7-yl)hex-5-en-2-ol (PubChem CID 104656329) has the molecular formula C14H16OS and a molecular weight of 232.35 g/mol. Its IUPAC name is 2-(1-benzothiophen-7-yl)hex-5-en-2-ol.

Molecular Properties

Compound Name2-(1-benzothiophen-7-yl)hex-5-en-2-ol
PubChem CID104656329
Molecular FormulaC14H16OS
Molecular Weight232.35 g/mol
Exact Mass232.09
IUPAC Name2-(1-benzothiophen-7-yl)hex-5-en-2-ol
SMILESC=CCCC(C)(O)c1cccc2ccsc12
InChIInChI=1S/C14H16OS/c1-3-4-9-14(2,15)12-7-5-6-11-8-10-16-13(11)12/h3,5-8,10,15H,1,4,9H2,2H3
InChIKeyBJXVMUMVLBXBRM-UHFFFAOYSA-N
XLogP4.07
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 ≤ 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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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-7-yl)hex-5-en-2-ol?
The IUPAC name of 2-(1-benzothiophen-7-yl)hex-5-en-2-ol (CID 104656329) is 2-(1-benzothiophen-7-yl)hex-5-en-2-ol.
What is the SMILES notation for 2-(1-benzothiophen-7-yl)hex-5-en-2-ol?
The canonical SMILES for 2-(1-benzothiophen-7-yl)hex-5-en-2-ol is C=CCCC(C)(O)c1cccc2ccsc12.
What is the InChIKey of 2-(1-benzothiophen-7-yl)hex-5-en-2-ol?
The InChIKey is BJXVMUMVLBXBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16OS/c1-3-4-9-14(2,15)12-7-5-6-11-8-10-16-13(11)12/h3,5-8,10,15H,1,4,9H2,2H3.
What are the key properties of 2-(1-benzothiophen-7-yl)hex-5-en-2-ol?
2-(1-benzothiophen-7-yl)hex-5-en-2-ol has a molecular weight of 232.35 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-7-yl)hex-5-en-2-ol is sourced from PubChem (CID 104656329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).