7-hydroxy-4-methyl-3-phosphanylchromen-2-one

C10H9O3P — CID 88515701

IUPAC7-hydroxy-4-methyl-3-phosphanylchromen-2-one
SMILESCc1c(P)c(=O)oc2cc(O)ccc12
InChIInChI=1S/C10H9O3P/c1-5-7-3-2-6(11)4-8(7)13-10(12)9(5)14/h2-4,11H,14H2,1H3
InChIKeyOMDJUQRHYAJWKG-UHFFFAOYSA-N
MW208.15 g/mol
LogP1.31
Rot. Bonds

About 7-hydroxy-4-methyl-3-phosphanylchromen-2-one

7-hydroxy-4-methyl-3-phosphanylchromen-2-one (PubChem CID 88515701) has the molecular formula C10H9O3P and a molecular weight of 208.15 g/mol. Its IUPAC name is 7-hydroxy-4-methyl-3-phosphanylchromen-2-one.

Molecular Properties

Compound Name7-hydroxy-4-methyl-3-phosphanylchromen-2-one
PubChem CID88515701
Molecular FormulaC10H9O3P
Molecular Weight208.15 g/mol
Exact Mass208.03
IUPAC Name7-hydroxy-4-methyl-3-phosphanylchromen-2-one
SMILESCc1c(P)c(=O)oc2cc(O)ccc12
InChIInChI=1S/C10H9O3P/c1-5-7-3-2-6(11)4-8(7)13-10(12)9(5)14/h2-4,11H,14H2,1H3
InChIKeyOMDJUQRHYAJWKG-UHFFFAOYSA-N
XLogP1.31
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.15
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-hydroxy-4-methyl-3-phosphanylchromen-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-hydroxy-4-methyl-3-phosphanylchromen-2-one?
The IUPAC name of 7-hydroxy-4-methyl-3-phosphanylchromen-2-one (CID 88515701) is 7-hydroxy-4-methyl-3-phosphanylchromen-2-one.
What is the SMILES notation for 7-hydroxy-4-methyl-3-phosphanylchromen-2-one?
The canonical SMILES for 7-hydroxy-4-methyl-3-phosphanylchromen-2-one is Cc1c(P)c(=O)oc2cc(O)ccc12.
What is the InChIKey of 7-hydroxy-4-methyl-3-phosphanylchromen-2-one?
The InChIKey is OMDJUQRHYAJWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9O3P/c1-5-7-3-2-6(11)4-8(7)13-10(12)9(5)14/h2-4,11H,14H2,1H3.
What are the key properties of 7-hydroxy-4-methyl-3-phosphanylchromen-2-one?
7-hydroxy-4-methyl-3-phosphanylchromen-2-one has a molecular weight of 208.15 g/mol, XLogP of 1.31, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-4-methyl-3-phosphanylchromen-2-one is sourced from PubChem (CID 88515701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).