7,8-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one

C15H12O5 — CID 42607833

IUPAC7,8-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2ccc(O)cc2)Oc2c1ccc(O)c2O
InChIInChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(18)10-5-6-11(17)14(19)15(10)20-13/h1-6,13,16-17,19H,7H2
InChIKeyIXQZKAVXZDCYDY-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.51
Rot. Bonds1

About 7,8-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one

7,8-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one (PubChem CID 42607833) has the molecular formula C15H12O5 and a molecular weight of 272.26 g/mol. Its IUPAC name is 7,8-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name7,8-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
PubChem CID42607833
Molecular FormulaC15H12O5
Molecular Weight272.26 g/mol
Exact Mass272.07
IUPAC Name7,8-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2ccc(O)cc2)Oc2c1ccc(O)c2O
InChIInChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(18)10-5-6-11(17)14(19)15(10)20-13/h1-6,13,16-17,19H,7H2
InChIKeyIXQZKAVXZDCYDY-UHFFFAOYSA-N
XLogP2.51
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7,8-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-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 7,8-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one?
The IUPAC name of 7,8-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one (CID 42607833) is 7,8-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 7,8-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 7,8-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one is O=C1CC(c2ccc(O)cc2)Oc2c1ccc(O)c2O.
What is the InChIKey of 7,8-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one?
The InChIKey is IXQZKAVXZDCYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(18)10-5-6-11(17)14(19)15(10)20-13/h1-6,13,16-17,19H,7H2.
What are the key properties of 7,8-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one?
7,8-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one has a molecular weight of 272.26 g/mol, XLogP of 2.51, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 42607833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).