(2Z)-2-benzylidene-3H-1-benzothiophen-3-ol

C15H12OS — CID 70878271

IUPAC(2Z)-2-benzylidene-3H-1-benzothiophen-3-ol
SMILESOC1/C(=C/c2ccccc2)Sc2ccccc21
InChIInChI=1S/C15H12OS/c16-15-12-8-4-5-9-13(12)17-14(15)10-11-6-2-1-3-7-11/h1-10,15-16H/b14-10-
InChIKeyOZRLADJHJMTFOP-UVTDQMKNSA-N
MW240.33 g/mol
LogP3.87
Rot. Bonds1

About (2Z)-2-benzylidene-3H-1-benzothiophen-3-ol

(2Z)-2-benzylidene-3H-1-benzothiophen-3-ol (PubChem CID 70878271) has the molecular formula C15H12OS and a molecular weight of 240.33 g/mol. Its IUPAC name is (2Z)-2-benzylidene-3H-1-benzothiophen-3-ol.

Molecular Properties

Compound Name(2Z)-2-benzylidene-3H-1-benzothiophen-3-ol
PubChem CID70878271
Molecular FormulaC15H12OS
Molecular Weight240.33 g/mol
Exact Mass240.06
IUPAC Name(2Z)-2-benzylidene-3H-1-benzothiophen-3-ol
SMILESOC1/C(=C/c2ccccc2)Sc2ccccc21
InChIInChI=1S/C15H12OS/c16-15-12-8-4-5-9-13(12)17-14(15)10-11-6-2-1-3-7-11/h1-10,15-16H/b14-10-
InChIKeyOZRLADJHJMTFOP-UVTDQMKNSA-N
XLogP3.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-benzylidene-3H-1-benzothiophen-3-ol?
The IUPAC name of (2Z)-2-benzylidene-3H-1-benzothiophen-3-ol (CID 70878271) is (2Z)-2-benzylidene-3H-1-benzothiophen-3-ol.
What is the SMILES notation for (2Z)-2-benzylidene-3H-1-benzothiophen-3-ol?
The canonical SMILES for (2Z)-2-benzylidene-3H-1-benzothiophen-3-ol is OC1/C(=C/c2ccccc2)Sc2ccccc21.
What is the InChIKey of (2Z)-2-benzylidene-3H-1-benzothiophen-3-ol?
The InChIKey is OZRLADJHJMTFOP-UVTDQMKNSA-N. The full InChI is InChI=1S/C15H12OS/c16-15-12-8-4-5-9-13(12)17-14(15)10-11-6-2-1-3-7-11/h1-10,15-16H/b14-10-.
What are the key properties of (2Z)-2-benzylidene-3H-1-benzothiophen-3-ol?
(2Z)-2-benzylidene-3H-1-benzothiophen-3-ol has a molecular weight of 240.33 g/mol, XLogP of 3.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-benzylidene-3H-1-benzothiophen-3-ol is sourced from PubChem (CID 70878271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).