[4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]phenyl]-phenylmethanone

C21H17NO3 — CID 177256442

IUPAC[4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]phenyl]-phenylmethanone
SMILESCOc1ccc(O)c(/C=N/c2ccc(C(=O)c3ccccc3)cc2)c1
InChIInChI=1S/C21H17NO3/c1-25-19-11-12-20(23)17(13-19)14-22-18-9-7-16(8-10-18)21(24)15-5-3-2-4-6-15/h2-14,23H,1H3/b22-14+
InChIKeyFXUXJKAMKZSVHL-HYARGMPZSA-N
MW331.37 g/mol
LogP4.38
Rot. Bonds5

About [4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]phenyl]-phenylmethanone

[4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]phenyl]-phenylmethanone (PubChem CID 177256442) has the molecular formula C21H17NO3 and a molecular weight of 331.37 g/mol. Its IUPAC name is [4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]phenyl]-phenylmethanone
PubChem CID177256442
Molecular FormulaC21H17NO3
Molecular Weight331.37 g/mol
Exact Mass331.12
IUPAC Name[4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]phenyl]-phenylmethanone
SMILESCOc1ccc(O)c(/C=N/c2ccc(C(=O)c3ccccc3)cc2)c1
InChIInChI=1S/C21H17NO3/c1-25-19-11-12-20(23)17(13-19)14-22-18-9-7-16(8-10-18)21(24)15-5-3-2-4-6-15/h2-14,23H,1H3/b22-14+
InChIKeyFXUXJKAMKZSVHL-HYARGMPZSA-N
XLogP4.38
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4'-(2-Hydroxybenzylideneamino)acetophenone
CID 136627
1-(4-(((4-Butoxyphenyl)methylene)amino)phenyl)ethanone
CID 533688
4-(2-Hydroxy-5-methoxybenzylideneamino)benzoic acid
CID 3614018
4-(2-Methoxybenzylideneamino)benzoic acid
CID 961439
4-(((4-(Phenylmethoxy)phenyl)methylene)amino)benzoic acid
CID 683999
Ethyl 4-(2-hydroxybenzylideneamino)benzoate
CID 291004
N-(4-Ethoxybenzylidene)-4-acetylaniline
CID 40424582
Alpha-(4-(ethoxycarbonyl)phenylimino)-6-methoxy-O-cresol
CID 778999
p-(o-Methoxybenzylidene)aminobenzoic acid ethyl ester
CID 52270
4-(((3-Methoxyphenyl)methylene)amino)benzoic acid
CID 3049182
4-(4-Methoxybenzylideneamino)benzoic acid
CID 305091
Methyl 4-(2-hydroxy-5-methoxybenzylideneamino)benzoate
CID 4619076

Frequently Asked Questions

What is the IUPAC name of [4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]phenyl]-phenylmethanone?
The IUPAC name of [4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]phenyl]-phenylmethanone (CID 177256442) is [4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]phenyl]-phenylmethanone?
The canonical SMILES for [4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]phenyl]-phenylmethanone is COc1ccc(O)c(/C=N/c2ccc(C(=O)c3ccccc3)cc2)c1.
What is the InChIKey of [4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]phenyl]-phenylmethanone?
The InChIKey is FXUXJKAMKZSVHL-HYARGMPZSA-N. The full InChI is InChI=1S/C21H17NO3/c1-25-19-11-12-20(23)17(13-19)14-22-18-9-7-16(8-10-18)21(24)15-5-3-2-4-6-15/h2-14,23H,1H3/b22-14+.
What are the key properties of [4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]phenyl]-phenylmethanone?
[4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]phenyl]-phenylmethanone has a molecular weight of 331.37 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]phenyl]-phenylmethanone is sourced from PubChem (CID 177256442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).