7-hydroxychromen-2-one;phosphoric acid

C9H9O7P — CID 87360141

IUPAC7-hydroxychromen-2-one;phosphoric acid
SMILESO=P(O)(O)O.O=c1ccc2ccc(O)cc2o1
InChIInChI=1S/C9H6O3.H3O4P/c10-7-3-1-6-2-4-9(11)12-8(6)5-7;1-5(2,3)4/h1-5,10H;(H3,1,2,3,4)
InChIKeyDGEHFZMPYFZBKX-UHFFFAOYSA-N
MW260.14 g/mol
LogP0.57
Rot. Bonds

About 7-hydroxychromen-2-one;phosphoric acid

7-hydroxychromen-2-one;phosphoric acid (PubChem CID 87360141) has the molecular formula C9H9O7P and a molecular weight of 260.14 g/mol. Its IUPAC name is 7-hydroxychromen-2-one;phosphoric acid.

Molecular Properties

Compound Name7-hydroxychromen-2-one;phosphoric acid
PubChem CID87360141
Molecular FormulaC9H9O7P
Molecular Weight260.14 g/mol
Exact Mass260.01
IUPAC Name7-hydroxychromen-2-one;phosphoric acid
SMILESO=P(O)(O)O.O=c1ccc2ccc(O)cc2o1
InChIInChI=1S/C9H6O3.H3O4P/c10-7-3-1-6-2-4-9(11)12-8(6)5-7;1-5(2,3)4/h1-5,10H;(H3,1,2,3,4)
InChIKeyDGEHFZMPYFZBKX-UHFFFAOYSA-N
XLogP0.57
TPSA128.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.14
LogP ≤ 50.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-hydroxychromen-2-one;phosphoric acid 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

7-hydroxychromen-2-one;methyl dihydrogen phosphate
CID 87123175
acetic acid;7-hydroxychromen-2-one
CID 88810969
7-hydroxychromen-2-one;7-hydroxy-6-methoxychromen-2-one
CID 158863716
7-hydroxy-3-(2-oxochromen-7-yl)oxychromen-2-one
CID 10925304
6,7-dihydroxychromen-2-one
CID 5281416
6,7-dihydroxychromen-2-one;phosphane
CID 175526881
7-sulfanylchromen-2-one;hydrobromide
CID 173228168
1-(4-hydroxyphenyl)-3-(2-oxochromen-6-yl)urea
CID 99832234
7-(2-hydroxyethyl)chromen-2-one
CID 59776471
7-(trichloromethyl)chromen-2-one
CID 90255684
bis(6-hydroxy-1-benzofuran-2-yl)methanone
CID 13393486
7-aminochromen-2-one;ethane
CID 166456004

Frequently Asked Questions

What is the IUPAC name of 7-hydroxychromen-2-one;phosphoric acid?
The IUPAC name of 7-hydroxychromen-2-one;phosphoric acid (CID 87360141) is 7-hydroxychromen-2-one;phosphoric acid.
What is the SMILES notation for 7-hydroxychromen-2-one;phosphoric acid?
The canonical SMILES for 7-hydroxychromen-2-one;phosphoric acid is O=P(O)(O)O.O=c1ccc2ccc(O)cc2o1.
What is the InChIKey of 7-hydroxychromen-2-one;phosphoric acid?
The InChIKey is DGEHFZMPYFZBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6O3.H3O4P/c10-7-3-1-6-2-4-9(11)12-8(6)5-7;1-5(2,3)4/h1-5,10H;(H3,1,2,3,4).
What are the key properties of 7-hydroxychromen-2-one;phosphoric acid?
7-hydroxychromen-2-one;phosphoric acid has a molecular weight of 260.14 g/mol, XLogP of 0.57, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxychromen-2-one;phosphoric acid is sourced from PubChem (CID 87360141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).