6,7-dihydroxychromen-2-one;phosphane

C9H9O4P — CID 175526881

IUPAC6,7-dihydroxychromen-2-one;phosphane
SMILESO=c1ccc2cc(O)c(O)cc2o1.P
InChIInChI=1S/C9H6O4.H3P/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11;/h1-4,10-11H;1H3
InChIKeyQSVJPSBWKVYYAX-UHFFFAOYSA-N
MW212.14 g/mol
LogP1.26
Rot. Bonds

About 6,7-dihydroxychromen-2-one;phosphane

6,7-dihydroxychromen-2-one;phosphane (PubChem CID 175526881) has the molecular formula C9H9O4P and a molecular weight of 212.14 g/mol. Its IUPAC name is 6,7-dihydroxychromen-2-one;phosphane.

Molecular Properties

Compound Name6,7-dihydroxychromen-2-one;phosphane
PubChem CID175526881
Molecular FormulaC9H9O4P
Molecular Weight212.14 g/mol
Exact Mass212.02
IUPAC Name6,7-dihydroxychromen-2-one;phosphane
SMILESO=c1ccc2cc(O)c(O)cc2o1.P
InChIInChI=1S/C9H6O4.H3P/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11;/h1-4,10-11H;1H3
InChIKeyQSVJPSBWKVYYAX-UHFFFAOYSA-N
XLogP1.26
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.14
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 6,7-dihydroxychromen-2-one;phosphane 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

6,7-dihydroxychromen-2-one
CID 5281416
7-ethoxy-6-hydroxychromen-2-one
CID 13031686
7-hydroxy-6-(2-hydroxyphenoxy)chromen-2-one
CID 163056990
6-hydroxy-7-propoxychromen-2-one
CID 101030918
7-hydroxychromen-2-one;7-hydroxy-6-methoxychromen-2-one
CID 158863716
7-hydroxy-6-(3-methylbut-2-enyl)chromen-2-one
CID 5316525
7-hydroxychromen-2-one;phosphoric acid
CID 87360141
6-hydroxy-7-(2-methylbut-3-en-2-yloxy)chromen-2-one
CID 71318720
7-(2-fluoro-2-methylpropoxy)-6-hydroxychromen-2-one
CID 86273030
2,5-dihydroxy-4-methoxybenzaldehyde;6-hydroxy-7-methoxychromen-2-one
CID 160954791
7-hydroxy-6-[(Z)-4-hydroxy-3-methylbut-2-enyl]chromen-2-one
CID 10879399
acetic acid;7-hydroxychromen-2-one
CID 88810969

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydroxychromen-2-one;phosphane?
The IUPAC name of 6,7-dihydroxychromen-2-one;phosphane (CID 175526881) is 6,7-dihydroxychromen-2-one;phosphane.
What is the SMILES notation for 6,7-dihydroxychromen-2-one;phosphane?
The canonical SMILES for 6,7-dihydroxychromen-2-one;phosphane is O=c1ccc2cc(O)c(O)cc2o1.P.
What is the InChIKey of 6,7-dihydroxychromen-2-one;phosphane?
The InChIKey is QSVJPSBWKVYYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6O4.H3P/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11;/h1-4,10-11H;1H3.
What are the key properties of 6,7-dihydroxychromen-2-one;phosphane?
6,7-dihydroxychromen-2-one;phosphane has a molecular weight of 212.14 g/mol, XLogP of 1.26, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydroxychromen-2-one;phosphane is sourced from PubChem (CID 175526881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).