7,8-dihydroxy-6-methoxychromen-2-one

C10H8O5 — CID 5273569

IUPAC7,8-dihydroxy-6-methoxychromen-2-one
SMILESCOc1cc2ccc(=O)oc2c(O)c1O
InChIInChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3
InChIKeyHAVWRBANWNTOJX-UHFFFAOYSA-N
MW208.17 g/mol
LogP1.21
Rot. Bonds1

About 7,8-dihydroxy-6-methoxychromen-2-one

7,8-dihydroxy-6-methoxychromen-2-one (PubChem CID 5273569) has the molecular formula C10H8O5 and a molecular weight of 208.17 g/mol. Its IUPAC name is 7,8-dihydroxy-6-methoxychromen-2-one.

Molecular Properties

Compound Name7,8-dihydroxy-6-methoxychromen-2-one
PubChem CID5273569
Molecular FormulaC10H8O5
Molecular Weight208.17 g/mol
Exact Mass208.04
IUPAC Name7,8-dihydroxy-6-methoxychromen-2-one
SMILESCOc1cc2ccc(=O)oc2c(O)c1O
InChIInChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3
InChIKeyHAVWRBANWNTOJX-UHFFFAOYSA-N
XLogP1.21
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Related Compounds

4-Methylumbelliferone
CID 5280567
Daphnetin
CID 5280569
Scoparone
CID 8417
Scopoletin
CID 5280460
Esculetin
CID 5281416
4-Methylesculetin
CID 5319502
Esculin
CID 5281417
5,7-Dimethoxycoumarin
CID 2775
Umbelliferone
CID 5281426
4-Hydroxy-3,5-dimethoxycinnamic acid
CID 637775
precocene II
CID 12565
Sinapaldehyde
CID 5280802

Frequently Asked Questions

What is the IUPAC name of 7,8-dihydroxy-6-methoxychromen-2-one?
The IUPAC name of 7,8-dihydroxy-6-methoxychromen-2-one (CID 5273569) is 7,8-dihydroxy-6-methoxychromen-2-one.
What is the SMILES notation for 7,8-dihydroxy-6-methoxychromen-2-one?
The canonical SMILES for 7,8-dihydroxy-6-methoxychromen-2-one is COc1cc2ccc(=O)oc2c(O)c1O.
What is the InChIKey of 7,8-dihydroxy-6-methoxychromen-2-one?
The InChIKey is HAVWRBANWNTOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3.
What are the key properties of 7,8-dihydroxy-6-methoxychromen-2-one?
7,8-dihydroxy-6-methoxychromen-2-one has a molecular weight of 208.17 g/mol, XLogP of 1.21, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydroxy-6-methoxychromen-2-one is sourced from PubChem (CID 5273569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).