7-[(2-hydroxy-4-methylphenyl)methylideneamino]-4-methylchromen-2-one

C18H15NO3 — CID 136966271

IUPAC7-[(2-hydroxy-4-methylphenyl)methylideneamino]-4-methylchromen-2-one
SMILESCc1ccc(/C=N/c2ccc3c(C)cc(=O)oc3c2)c(O)c1
InChIInChI=1S/C18H15NO3/c1-11-3-4-13(16(20)7-11)10-19-14-5-6-15-12(2)8-18(21)22-17(15)9-14/h3-10,20H,1-2H3/b19-10+
InChIKeyIQSSOVNBZCJXBT-VXLYETTFSA-N
MW293.32 g/mol
LogP3.87
Rot. Bonds2

About 7-[(2-hydroxy-4-methylphenyl)methylideneamino]-4-methylchromen-2-one

7-[(2-hydroxy-4-methylphenyl)methylideneamino]-4-methylchromen-2-one (PubChem CID 136966271) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is 7-[(2-hydroxy-4-methylphenyl)methylideneamino]-4-methylchromen-2-one.

Molecular Properties

Compound Name7-[(2-hydroxy-4-methylphenyl)methylideneamino]-4-methylchromen-2-one
PubChem CID136966271
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name7-[(2-hydroxy-4-methylphenyl)methylideneamino]-4-methylchromen-2-one
SMILESCc1ccc(/C=N/c2ccc3c(C)cc(=O)oc3c2)c(O)c1
InChIInChI=1S/C18H15NO3/c1-11-3-4-13(16(20)7-11)10-19-14-5-6-15-12(2)8-18(21)22-17(15)9-14/h3-10,20H,1-2H3/b19-10+
InChIKeyIQSSOVNBZCJXBT-VXLYETTFSA-N
XLogP3.87
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 ≤ 53.87
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 7-[(2-hydroxy-4-methylphenyl)methylideneamino]-4-methylchromen-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

Frequently Asked Questions

What is the IUPAC name of 7-[(2-hydroxy-4-methylphenyl)methylideneamino]-4-methylchromen-2-one?
The IUPAC name of 7-[(2-hydroxy-4-methylphenyl)methylideneamino]-4-methylchromen-2-one (CID 136966271) is 7-[(2-hydroxy-4-methylphenyl)methylideneamino]-4-methylchromen-2-one.
What is the SMILES notation for 7-[(2-hydroxy-4-methylphenyl)methylideneamino]-4-methylchromen-2-one?
The canonical SMILES for 7-[(2-hydroxy-4-methylphenyl)methylideneamino]-4-methylchromen-2-one is Cc1ccc(/C=N/c2ccc3c(C)cc(=O)oc3c2)c(O)c1.
What is the InChIKey of 7-[(2-hydroxy-4-methylphenyl)methylideneamino]-4-methylchromen-2-one?
The InChIKey is IQSSOVNBZCJXBT-VXLYETTFSA-N. The full InChI is InChI=1S/C18H15NO3/c1-11-3-4-13(16(20)7-11)10-19-14-5-6-15-12(2)8-18(21)22-17(15)9-14/h3-10,20H,1-2H3/b19-10+.
What are the key properties of 7-[(2-hydroxy-4-methylphenyl)methylideneamino]-4-methylchromen-2-one?
7-[(2-hydroxy-4-methylphenyl)methylideneamino]-4-methylchromen-2-one has a molecular weight of 293.32 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-hydroxy-4-methylphenyl)methylideneamino]-4-methylchromen-2-one is sourced from PubChem (CID 136966271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).