4-hydroxy-3-[C-methyl-N-(2-methylphenyl)carbonimidoyl]chromen-2-one

C18H15NO3 — CID 137225288

IUPAC4-hydroxy-3-[C-methyl-N-(2-methylphenyl)carbonimidoyl]chromen-2-one
SMILESC/C(=N\c1ccccc1C)c1c(O)c2ccccc2oc1=O
InChIInChI=1S/C18H15NO3/c1-11-7-3-5-9-14(11)19-12(2)16-17(20)13-8-4-6-10-15(13)22-18(16)21/h3-10,20H,1-2H3/b19-12+
InChIKeyDSYSAHDMXYEKTL-XDHOZWIPSA-N
MW293.32 g/mol
LogP3.95
Rot. Bonds2

About 4-hydroxy-3-[C-methyl-N-(2-methylphenyl)carbonimidoyl]chromen-2-one

4-hydroxy-3-[C-methyl-N-(2-methylphenyl)carbonimidoyl]chromen-2-one (PubChem CID 137225288) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is 4-hydroxy-3-[C-methyl-N-(2-methylphenyl)carbonimidoyl]chromen-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[C-methyl-N-(2-methylphenyl)carbonimidoyl]chromen-2-one
PubChem CID137225288
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name4-hydroxy-3-[C-methyl-N-(2-methylphenyl)carbonimidoyl]chromen-2-one
SMILESC/C(=N\c1ccccc1C)c1c(O)c2ccccc2oc1=O
InChIInChI=1S/C18H15NO3/c1-11-7-3-5-9-14(11)19-12(2)16-17(20)13-8-4-6-10-15(13)22-18(16)21/h3-10,20H,1-2H3/b19-12+
InChIKeyDSYSAHDMXYEKTL-XDHOZWIPSA-N
XLogP3.95
TPSA62.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-hydroxy-3-[C-methyl-N-(2-methylphenyl)carbonimidoyl]chromen-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

3-[N-(3,4-dichlorophenyl)-C-methylcarbonimidoyl]-4-hydroxychromen-2-one
CID 146020943
4-hydroxy-3-[N-(4-hydroxy-3-methoxyphenyl)-C-methylcarbonimidoyl]chromen-2-one
CID 171392814
[1-(4-hydroxy-2-oxochromen-3-yl)ethylideneamino]urea
CID 135444488
[(Z)-1-(4-hydroxy-2-oxochromen-3-yl)ethylideneamino]urea
CID 136884261
4-hydroxy-3-[(E)-C-methyl-N-phenylmethoxycarbonimidoyl]chromen-2-one
CID 162651588
4-hydroxy-3-[N-(4-hydroxy-2,2-dimethylbutyl)-C-methylcarbonimidoyl]chromen-2-one
CID 171804318
4-hydroxy-3-methylchromen-2-one
CID 54687016
4-hydroxy-3-[N-[(4-methoxyphenyl)methyl]-C-methylcarbonimidoyl]chromen-2-one
CID 146020961
3-benzoyl-4-hydroxychromen-2-one
CID 135407308
3-[C-methyl-N-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]carbonimidoyl]chromen-2-one
CID 50741718
N-[(E)-1-(4-hydroxy-2-oxochromen-3-yl)ethylideneamino]thiophene-2-carboxamide
CID 139080929
4-hydroxy-3-(4-methylpent-4-enoyl)chromen-2-one
CID 153315843

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[C-methyl-N-(2-methylphenyl)carbonimidoyl]chromen-2-one?
The IUPAC name of 4-hydroxy-3-[C-methyl-N-(2-methylphenyl)carbonimidoyl]chromen-2-one (CID 137225288) is 4-hydroxy-3-[C-methyl-N-(2-methylphenyl)carbonimidoyl]chromen-2-one.
What is the SMILES notation for 4-hydroxy-3-[C-methyl-N-(2-methylphenyl)carbonimidoyl]chromen-2-one?
The canonical SMILES for 4-hydroxy-3-[C-methyl-N-(2-methylphenyl)carbonimidoyl]chromen-2-one is C/C(=N\c1ccccc1C)c1c(O)c2ccccc2oc1=O.
What is the InChIKey of 4-hydroxy-3-[C-methyl-N-(2-methylphenyl)carbonimidoyl]chromen-2-one?
The InChIKey is DSYSAHDMXYEKTL-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H15NO3/c1-11-7-3-5-9-14(11)19-12(2)16-17(20)13-8-4-6-10-15(13)22-18(16)21/h3-10,20H,1-2H3/b19-12+.
What are the key properties of 4-hydroxy-3-[C-methyl-N-(2-methylphenyl)carbonimidoyl]chromen-2-one?
4-hydroxy-3-[C-methyl-N-(2-methylphenyl)carbonimidoyl]chromen-2-one has a molecular weight of 293.32 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[C-methyl-N-(2-methylphenyl)carbonimidoyl]chromen-2-one is sourced from PubChem (CID 137225288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).