2-(benzyliminomethyl)-4-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenol

C23H21NO3 — CID 136947963

IUPAC2-(benzyliminomethyl)-4-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenol
SMILESCOc1cc(/C=C/c2ccc(O)c(/C=N/Cc3ccccc3)c2)ccc1O
InChIInChI=1S/C23H21NO3/c1-27-23-14-18(10-12-22(23)26)8-7-17-9-11-21(25)20(13-17)16-24-15-19-5-3-2-4-6-19/h2-14,16,25-26H,15H2,1H3/b8-7+,24-16+
InChIKeyNQBFFOVUHSTLNF-BWDZSQRCSA-N
MW359.43 g/mol
LogP4.90
Rot. Bonds6

About 2-(benzyliminomethyl)-4-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenol

2-(benzyliminomethyl)-4-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenol (PubChem CID 136947963) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-(benzyliminomethyl)-4-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenol.

Molecular Properties

Compound Name2-(benzyliminomethyl)-4-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenol
PubChem CID136947963
Molecular FormulaC23H21NO3
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC Name2-(benzyliminomethyl)-4-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenol
SMILESCOc1cc(/C=C/c2ccc(O)c(/C=N/Cc3ccccc3)c2)ccc1O
InChIInChI=1S/C23H21NO3/c1-27-23-14-18(10-12-22(23)26)8-7-17-9-11-21(25)20(13-17)16-24-15-19-5-3-2-4-6-19/h2-14,16,25-26H,15H2,1H3/b8-7+,24-16+
InChIKeyNQBFFOVUHSTLNF-BWDZSQRCSA-N
XLogP4.90
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenyl]ethenyl]-2-methoxyphenol
CID 11406193
2-methoxy-4-[(E)-phenylmethoxyiminomethyl]phenol
CID 136913659
4-[2-(2-ethylphenyl)ethenyl]-2-methoxyphenol
CID 175950011
(E)-1-(4-hydroxy-3-methoxyphenyl)-5-phenylpent-1-en-3-one
CID 11550934
1-(4-hydroxy-3-methoxyphenyl)-5-phenylpent-1-en-3-one
CID 54335344
N-benzyl-1-(2-bromo-4,5-dimethoxyphenyl)methanimine
CID 13212553
4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2-methoxyphenol
CID 10377070
2-methoxy-4-(3-nitroso-5-phenylpent-1-enyl)phenol
CID 56630620
4-[[benzyl(phenyl)hydrazinylidene]methyl]-2-methoxyphenol
CID 4245483
benzene;(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 174945129
3-(benzyliminomethyl)-4-hydroxybenzenesulfonic acid
CID 139241232
(1E)-1-(4-hydroxy-3-methoxyphenyl)-7-phenylhepta-1,6-diene-3,5-dione
CID 141082674

Frequently Asked Questions

What is the IUPAC name of 2-(benzyliminomethyl)-4-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenol?
The IUPAC name of 2-(benzyliminomethyl)-4-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenol (CID 136947963) is 2-(benzyliminomethyl)-4-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenol.
What is the SMILES notation for 2-(benzyliminomethyl)-4-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenol?
The canonical SMILES for 2-(benzyliminomethyl)-4-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenol is COc1cc(/C=C/c2ccc(O)c(/C=N/Cc3ccccc3)c2)ccc1O.
What is the InChIKey of 2-(benzyliminomethyl)-4-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenol?
The InChIKey is NQBFFOVUHSTLNF-BWDZSQRCSA-N. The full InChI is InChI=1S/C23H21NO3/c1-27-23-14-18(10-12-22(23)26)8-7-17-9-11-21(25)20(13-17)16-24-15-19-5-3-2-4-6-19/h2-14,16,25-26H,15H2,1H3/b8-7+,24-16+.
What are the key properties of 2-(benzyliminomethyl)-4-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenol?
2-(benzyliminomethyl)-4-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenol has a molecular weight of 359.43 g/mol, XLogP of 4.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzyliminomethyl)-4-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenol is sourced from PubChem (CID 136947963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).