3-[2-[(2-hydroxyphenyl)methylideneamino]-5-methylphenyl]-3,4-dihydrochromen-2-one

C23H19NO3 — CID 136732104

IUPAC3-[2-[(2-hydroxyphenyl)methylideneamino]-5-methylphenyl]-3,4-dihydrochromen-2-one
SMILESCc1ccc(/N=C/c2ccccc2O)c(C2Cc3ccccc3OC2=O)c1
InChIInChI=1S/C23H19NO3/c1-15-10-11-20(24-14-17-7-2-4-8-21(17)25)18(12-15)19-13-16-6-3-5-9-22(16)27-23(19)26/h2-12,14,19,25H,13H2,1H3/b24-14+
InChIKeyPDMPDGDODGSSJG-ZVHZXABRSA-N
MW357.41 g/mol
LogP4.70
Rot. Bonds3

About 3-[2-[(2-hydroxyphenyl)methylideneamino]-5-methylphenyl]-3,4-dihydrochromen-2-one

3-[2-[(2-hydroxyphenyl)methylideneamino]-5-methylphenyl]-3,4-dihydrochromen-2-one (PubChem CID 136732104) has the molecular formula C23H19NO3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 3-[2-[(2-hydroxyphenyl)methylideneamino]-5-methylphenyl]-3,4-dihydrochromen-2-one.

Molecular Properties

Compound Name3-[2-[(2-hydroxyphenyl)methylideneamino]-5-methylphenyl]-3,4-dihydrochromen-2-one
PubChem CID136732104
Molecular FormulaC23H19NO3
Molecular Weight357.41 g/mol
Exact Mass357.14
IUPAC Name3-[2-[(2-hydroxyphenyl)methylideneamino]-5-methylphenyl]-3,4-dihydrochromen-2-one
SMILESCc1ccc(/N=C/c2ccccc2O)c(C2Cc3ccccc3OC2=O)c1
InChIInChI=1S/C23H19NO3/c1-15-10-11-20(24-14-17-7-2-4-8-21(17)25)18(12-15)19-13-16-6-3-5-9-22(16)27-23(19)26/h2-12,14,19,25H,13H2,1H3/b24-14+
InChIKeyPDMPDGDODGSSJG-ZVHZXABRSA-N
XLogP4.70
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[2-[(2-hydroxyphenyl)methylideneamino]-5-methylphenyl]-3,4-dihydrochromen-2-one 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-[(2-fluoro-5-methylphenyl)iminomethyl]phenol
CID 4857118
3-(4-hydroxyphenyl)-3,4-dihydrochromen-2-one
CID 69198622
2-[[3-[(2-hydroxy-5-methylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-methylphenol
CID 137037421
4-methyl-2-[(2-methylphenyl)iminomethyl]phenol
CID 136675822
2-[(4-iodo-2-methylphenyl)iminomethyl]phenol
CID 630747
2-chloro-4-[(2-hydroxyphenyl)methylideneamino]-5-methylphenol
CID 135689629
3-[4-(methylamino)phenyl]-3,4-dihydrochromen-2-one
CID 160784007
2-[(3,5-dimethylphenyl)iminomethyl]phenol
CID 4108135
3-acetyl-3,4-dihydrochromen-2-one
CID 15418519
2-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol
CID 135713338
N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-9H-xanthene-9-carboxamide
CID 135578951
N-[(Z)-(2-hydroxy-5-methylphenyl)methylideneamino]-9H-xanthene-9-carboxamide
CID 135643720

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-hydroxyphenyl)methylideneamino]-5-methylphenyl]-3,4-dihydrochromen-2-one?
The IUPAC name of 3-[2-[(2-hydroxyphenyl)methylideneamino]-5-methylphenyl]-3,4-dihydrochromen-2-one (CID 136732104) is 3-[2-[(2-hydroxyphenyl)methylideneamino]-5-methylphenyl]-3,4-dihydrochromen-2-one.
What is the SMILES notation for 3-[2-[(2-hydroxyphenyl)methylideneamino]-5-methylphenyl]-3,4-dihydrochromen-2-one?
The canonical SMILES for 3-[2-[(2-hydroxyphenyl)methylideneamino]-5-methylphenyl]-3,4-dihydrochromen-2-one is Cc1ccc(/N=C/c2ccccc2O)c(C2Cc3ccccc3OC2=O)c1.
What is the InChIKey of 3-[2-[(2-hydroxyphenyl)methylideneamino]-5-methylphenyl]-3,4-dihydrochromen-2-one?
The InChIKey is PDMPDGDODGSSJG-ZVHZXABRSA-N. The full InChI is InChI=1S/C23H19NO3/c1-15-10-11-20(24-14-17-7-2-4-8-21(17)25)18(12-15)19-13-16-6-3-5-9-22(16)27-23(19)26/h2-12,14,19,25H,13H2,1H3/b24-14+.
What are the key properties of 3-[2-[(2-hydroxyphenyl)methylideneamino]-5-methylphenyl]-3,4-dihydrochromen-2-one?
3-[2-[(2-hydroxyphenyl)methylideneamino]-5-methylphenyl]-3,4-dihydrochromen-2-one has a molecular weight of 357.41 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-hydroxyphenyl)methylideneamino]-5-methylphenyl]-3,4-dihydrochromen-2-one is sourced from PubChem (CID 136732104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).