2-[(E)-(3-phenyl-1-benzothiophen-2-yl)iminomethyl]phenol

C21H15NOS — CID 137103679

IUPAC2-[(E)-(3-phenyl-1-benzothiophen-2-yl)iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1sc2ccccc2c1-c1ccccc1
InChIInChI=1S/C21H15NOS/c23-18-12-6-4-10-16(18)14-22-21-20(15-8-2-1-3-9-15)17-11-5-7-13-19(17)24-21/h1-14,23H/b22-14+
InChIKeyHNWXHWXHUGLTQV-HYARGMPZSA-N
MW329.42 g/mol
LogP6.02
Rot. Bonds3

About 2-[(E)-(3-phenyl-1-benzothiophen-2-yl)iminomethyl]phenol

2-[(E)-(3-phenyl-1-benzothiophen-2-yl)iminomethyl]phenol (PubChem CID 137103679) has the molecular formula C21H15NOS and a molecular weight of 329.42 g/mol. Its IUPAC name is 2-[(E)-(3-phenyl-1-benzothiophen-2-yl)iminomethyl]phenol.

Molecular Properties

Compound Name2-[(E)-(3-phenyl-1-benzothiophen-2-yl)iminomethyl]phenol
PubChem CID137103679
Molecular FormulaC21H15NOS
Molecular Weight329.42 g/mol
Exact Mass329.09
IUPAC Name2-[(E)-(3-phenyl-1-benzothiophen-2-yl)iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1sc2ccccc2c1-c1ccccc1
InChIInChI=1S/C21H15NOS/c23-18-12-6-4-10-16(18)14-22-21-20(15-8-2-1-3-9-15)17-11-5-7-13-19(17)24-21/h1-14,23H/b22-14+
InChIKeyHNWXHWXHUGLTQV-HYARGMPZSA-N
XLogP6.02
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.42
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[(E)-(3-phenyl-1-benzothiophen-2-yl)iminomethyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3,4,5-triphenylphenyl)iminomethyl]phenol
CID 136859493
2-[(2-phenyl-1H-indol-3-yl)iminomethyl]phenol
CID 135433888
2-[(2-hydroxyphenyl)methylideneamino]-6-phenylphenol
CID 136888505
palladium;bis(2-(phenyliminomethyl)phenol)
CID 162453521
2-[[4-[4-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]phenyl]phenyl]iminomethyl]phenol
CID 3900677
2-phenyl-3-(2-phenyl-1-benzothiophen-3-yl)-1-benzothiophene
CID 15625929
copper;2-[(E)-hydrazinylidenemethyl]phenol;hydrate
CID 137286073
2-[(1,3,4-triphenylpyrazol-5-yl)iminomethyl]phenol
CID 3313085
2-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]iminomethyl]phenol
CID 2302434
2-phenyl-1-benzothiophen-4-ol
CID 154289453
bis(2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol);zinc
CID 135539792
cobalt;bis(2-[(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol)
CID 5225465

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(3-phenyl-1-benzothiophen-2-yl)iminomethyl]phenol?
The IUPAC name of 2-[(E)-(3-phenyl-1-benzothiophen-2-yl)iminomethyl]phenol (CID 137103679) is 2-[(E)-(3-phenyl-1-benzothiophen-2-yl)iminomethyl]phenol.
What is the SMILES notation for 2-[(E)-(3-phenyl-1-benzothiophen-2-yl)iminomethyl]phenol?
The canonical SMILES for 2-[(E)-(3-phenyl-1-benzothiophen-2-yl)iminomethyl]phenol is Oc1ccccc1/C=N/c1sc2ccccc2c1-c1ccccc1.
What is the InChIKey of 2-[(E)-(3-phenyl-1-benzothiophen-2-yl)iminomethyl]phenol?
The InChIKey is HNWXHWXHUGLTQV-HYARGMPZSA-N. The full InChI is InChI=1S/C21H15NOS/c23-18-12-6-4-10-16(18)14-22-21-20(15-8-2-1-3-9-15)17-11-5-7-13-19(17)24-21/h1-14,23H/b22-14+.
What are the key properties of 2-[(E)-(3-phenyl-1-benzothiophen-2-yl)iminomethyl]phenol?
2-[(E)-(3-phenyl-1-benzothiophen-2-yl)iminomethyl]phenol has a molecular weight of 329.42 g/mol, XLogP of 6.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(3-phenyl-1-benzothiophen-2-yl)iminomethyl]phenol is sourced from PubChem (CID 137103679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).