6,7-dihydroxy-4-methylchromen-2-one

C10H8O4 — CID 5319502

IUPAC6,7-dihydroxy-4-methylchromen-2-one
SMILESCc1cc(=O)oc2cc(O)c(O)cc12
InChIInChI=1S/C10H8O4/c1-5-2-10(13)14-9-4-8(12)7(11)3-6(5)9/h2-4,11-12H,1H3
InChIKeyKVOJTUXGYQVLAJ-UHFFFAOYSA-N
MW192.17 g/mol
LogP1.51
Rot. Bonds

About 6,7-dihydroxy-4-methylchromen-2-one

6,7-dihydroxy-4-methylchromen-2-one (PubChem CID 5319502) has the molecular formula C10H8O4 and a molecular weight of 192.17 g/mol. Its IUPAC name is 6,7-dihydroxy-4-methylchromen-2-one.

Molecular Properties

Compound Name6,7-dihydroxy-4-methylchromen-2-one
PubChem CID5319502
Molecular FormulaC10H8O4
Molecular Weight192.17 g/mol
Exact Mass192.04
IUPAC Name6,7-dihydroxy-4-methylchromen-2-one
SMILESCc1cc(=O)oc2cc(O)c(O)cc12
InChIInChI=1S/C10H8O4/c1-5-2-10(13)14-9-4-8(12)7(11)3-6(5)9/h2-4,11-12H,1H3
InChIKeyKVOJTUXGYQVLAJ-UHFFFAOYSA-N
XLogP1.51
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 51.51
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'}

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydroxy-4-methylchromen-2-one?
The IUPAC name of 6,7-dihydroxy-4-methylchromen-2-one (CID 5319502) is 6,7-dihydroxy-4-methylchromen-2-one.
What is the SMILES notation for 6,7-dihydroxy-4-methylchromen-2-one?
The canonical SMILES for 6,7-dihydroxy-4-methylchromen-2-one is Cc1cc(=O)oc2cc(O)c(O)cc12.
What is the InChIKey of 6,7-dihydroxy-4-methylchromen-2-one?
The InChIKey is KVOJTUXGYQVLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O4/c1-5-2-10(13)14-9-4-8(12)7(11)3-6(5)9/h2-4,11-12H,1H3.
What are the key properties of 6,7-dihydroxy-4-methylchromen-2-one?
6,7-dihydroxy-4-methylchromen-2-one has a molecular weight of 192.17 g/mol, XLogP of 1.51, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydroxy-4-methylchromen-2-one is sourced from PubChem (CID 5319502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).