[5-[(E)-2-(1-benzothiophen-3-yl)ethenyl]thiophen-2-yl]methanol

C15H12OS2 — CID 14696275

IUPAC[5-[(E)-2-(1-benzothiophen-3-yl)ethenyl]thiophen-2-yl]methanol
SMILESOCc1ccc(/C=C/c2csc3ccccc23)s1
InChIInChI=1S/C15H12OS2/c16-9-13-8-7-12(18-13)6-5-11-10-17-15-4-2-1-3-14(11)15/h1-8,10,16H,9H2/b6-5+
InChIKeyQFGVCTLWEJDRKB-AATRIKPKSA-N
MW272.39 g/mol
LogP4.63
Rot. Bonds3

About [5-[(E)-2-(1-benzothiophen-3-yl)ethenyl]thiophen-2-yl]methanol

[5-[(E)-2-(1-benzothiophen-3-yl)ethenyl]thiophen-2-yl]methanol (PubChem CID 14696275) has the molecular formula C15H12OS2 and a molecular weight of 272.39 g/mol. Its IUPAC name is [5-[(E)-2-(1-benzothiophen-3-yl)ethenyl]thiophen-2-yl]methanol.

Molecular Properties

Compound Name[5-[(E)-2-(1-benzothiophen-3-yl)ethenyl]thiophen-2-yl]methanol
PubChem CID14696275
Molecular FormulaC15H12OS2
Molecular Weight272.39 g/mol
Exact Mass272.03
IUPAC Name[5-[(E)-2-(1-benzothiophen-3-yl)ethenyl]thiophen-2-yl]methanol
SMILESOCc1ccc(/C=C/c2csc3ccccc23)s1
InChIInChI=1S/C15H12OS2/c16-9-13-8-7-12(18-13)6-5-11-10-17-15-4-2-1-3-14(11)15/h1-8,10,16H,9H2/b6-5+
InChIKeyQFGVCTLWEJDRKB-AATRIKPKSA-N
XLogP4.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[5-[(E)-2-(1-benzothiophen-3-yl)ethenyl]thiophen-2-yl]-1,3-dihydroxypropan-2-yl]acetamide
CID 14696286
3-[(Z)-2-(4-bromophenyl)ethenyl]-1-benzothiophene
CID 126718313
3-(2,2-dibromoethenyl)-1-benzothiophene
CID 130532128
ethyl (E)-3-(1-benzothiophen-3-yl)prop-2-enoate
CID 67918737
2-[2-(1-benzothiophen-3-yl)ethenyl]-1-methylpyridin-1-ium
CID 4003439
2-[2-[(E)-2-(1-benzothiophen-3-yl)ethenyl]pyridin-1-ium-1-yl]ethanamine
CID 23787849
N-(1-benzothiophen-3-ylmethylideneamino)aniline
CID 68863120
2-(1-benzothiophen-3-ylmethylideneamino)ethanethial
CID 91504286
3-(1-benzothiophen-3-ylmethylidene)pentane-2,4-dione
CID 138594037
ethyl (E,2S,3R)-5-(1-benzothiophen-3-yl)-2,3-dihydroxypent-4-enoate
CID 176649625
1-(1-benzothiophen-3-yl)-N-methoxymethanimine
CID 76609479
(2R)-2-amino-2-(1-benzothiophen-3-yl)ethanol
CID 94550401

Frequently Asked Questions

What is the IUPAC name of [5-[(E)-2-(1-benzothiophen-3-yl)ethenyl]thiophen-2-yl]methanol?
The IUPAC name of [5-[(E)-2-(1-benzothiophen-3-yl)ethenyl]thiophen-2-yl]methanol (CID 14696275) is [5-[(E)-2-(1-benzothiophen-3-yl)ethenyl]thiophen-2-yl]methanol.
What is the SMILES notation for [5-[(E)-2-(1-benzothiophen-3-yl)ethenyl]thiophen-2-yl]methanol?
The canonical SMILES for [5-[(E)-2-(1-benzothiophen-3-yl)ethenyl]thiophen-2-yl]methanol is OCc1ccc(/C=C/c2csc3ccccc23)s1.
What is the InChIKey of [5-[(E)-2-(1-benzothiophen-3-yl)ethenyl]thiophen-2-yl]methanol?
The InChIKey is QFGVCTLWEJDRKB-AATRIKPKSA-N. The full InChI is InChI=1S/C15H12OS2/c16-9-13-8-7-12(18-13)6-5-11-10-17-15-4-2-1-3-14(11)15/h1-8,10,16H,9H2/b6-5+.
What are the key properties of [5-[(E)-2-(1-benzothiophen-3-yl)ethenyl]thiophen-2-yl]methanol?
[5-[(E)-2-(1-benzothiophen-3-yl)ethenyl]thiophen-2-yl]methanol has a molecular weight of 272.39 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(E)-2-(1-benzothiophen-3-yl)ethenyl]thiophen-2-yl]methanol is sourced from PubChem (CID 14696275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).