2-(2,3-dihydroxy-5-methylphenyl)-6,8-dihydroxychromen-4-one

C16H12O6 — CID 71665587

IUPAC2-(2,3-dihydroxy-5-methylphenyl)-6,8-dihydroxychromen-4-one
SMILESCc1cc(O)c(O)c(-c2cc(=O)c3cc(O)cc(O)c3o2)c1
InChIInChI=1S/C16H12O6/c1-7-2-10(15(21)12(19)3-7)14-6-11(18)9-4-8(17)5-13(20)16(9)22-14/h2-6,17,19-21H,1H3
InChIKeyRKKNEAULDUVCCO-UHFFFAOYSA-N
MW300.27 g/mol
LogP2.59
Rot. Bonds1

About 2-(2,3-dihydroxy-5-methylphenyl)-6,8-dihydroxychromen-4-one

2-(2,3-dihydroxy-5-methylphenyl)-6,8-dihydroxychromen-4-one (PubChem CID 71665587) has the molecular formula C16H12O6 and a molecular weight of 300.27 g/mol. Its IUPAC name is 2-(2,3-dihydroxy-5-methylphenyl)-6,8-dihydroxychromen-4-one.

Molecular Properties

Compound Name2-(2,3-dihydroxy-5-methylphenyl)-6,8-dihydroxychromen-4-one
PubChem CID71665587
Molecular FormulaC16H12O6
Molecular Weight300.27 g/mol
Exact Mass300.06
IUPAC Name2-(2,3-dihydroxy-5-methylphenyl)-6,8-dihydroxychromen-4-one
SMILESCc1cc(O)c(O)c(-c2cc(=O)c3cc(O)cc(O)c3o2)c1
InChIInChI=1S/C16H12O6/c1-7-2-10(15(21)12(19)3-7)14-6-11(18)9-4-8(17)5-13(20)16(9)22-14/h2-6,17,19-21H,1H3
InChIKeyRKKNEAULDUVCCO-UHFFFAOYSA-N
XLogP2.59
TPSA111.13 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 52.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroxy-5-methylphenyl)-6,8-dihydroxychromen-4-one?
The IUPAC name of 2-(2,3-dihydroxy-5-methylphenyl)-6,8-dihydroxychromen-4-one (CID 71665587) is 2-(2,3-dihydroxy-5-methylphenyl)-6,8-dihydroxychromen-4-one.
What is the SMILES notation for 2-(2,3-dihydroxy-5-methylphenyl)-6,8-dihydroxychromen-4-one?
The canonical SMILES for 2-(2,3-dihydroxy-5-methylphenyl)-6,8-dihydroxychromen-4-one is Cc1cc(O)c(O)c(-c2cc(=O)c3cc(O)cc(O)c3o2)c1.
What is the InChIKey of 2-(2,3-dihydroxy-5-methylphenyl)-6,8-dihydroxychromen-4-one?
The InChIKey is RKKNEAULDUVCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O6/c1-7-2-10(15(21)12(19)3-7)14-6-11(18)9-4-8(17)5-13(20)16(9)22-14/h2-6,17,19-21H,1H3.
What are the key properties of 2-(2,3-dihydroxy-5-methylphenyl)-6,8-dihydroxychromen-4-one?
2-(2,3-dihydroxy-5-methylphenyl)-6,8-dihydroxychromen-4-one has a molecular weight of 300.27 g/mol, XLogP of 2.59, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroxy-5-methylphenyl)-6,8-dihydroxychromen-4-one is sourced from PubChem (CID 71665587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).