6,7-dimethoxychromen-2-one

C22H20O8 — CID 159563577

IUPAC6,7-dimethoxychromen-2-one
SMILESCOc1cc2ccc(=O)oc2cc1OC.COc1cc2ccc(=O)oc2cc1OC
InChIInChI=1S/2C11H10O4/c2*1-13-9-5-7-3-4-11(12)15-8(7)6-10(9)14-2/h2*3-6H,1-2H3
InChIKeyMGXRDURKQAWOAS-UHFFFAOYSA-N
MW412.39 g/mol
LogP3.62
Rot. Bonds4

About 6,7-dimethoxychromen-2-one

6,7-dimethoxychromen-2-one (PubChem CID 159563577) has the molecular formula C22H20O8 and a molecular weight of 412.39 g/mol. Its IUPAC name is 6,7-dimethoxychromen-2-one.

Molecular Properties

Compound Name6,7-dimethoxychromen-2-one
PubChem CID159563577
Molecular FormulaC22H20O8
Molecular Weight412.39 g/mol
Exact Mass412.12
IUPAC Name6,7-dimethoxychromen-2-one
SMILESCOc1cc2ccc(=O)oc2cc1OC.COc1cc2ccc(=O)oc2cc1OC
InChIInChI=1S/2C11H10O4/c2*1-13-9-5-7-3-4-11(12)15-8(7)6-10(9)14-2/h2*3-6H,1-2H3
InChIKeyMGXRDURKQAWOAS-UHFFFAOYSA-N
XLogP3.62
TPSA97.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.39
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

sodium;6,7-dimethoxychromen-2-one;chloride
CID 174522152
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CID 158863716
(6-methoxy-2-oxochromen-7-yl) 3-methylbutanoate
CID 155292895
3-methoxyfuro[3,2-g]chromen-7-one
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7-methoxy-6-nitrochromen-2-one
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4-(7-methoxy-2-oxochromen-6-yl)oxybutanoic acid
CID 54430844
3-(6-methoxy-2-oxochromen-7-yl)oxypropyl methanesulfonate
CID 19927657
7-methoxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
CID 162876702
2,5-dihydroxy-4-methoxybenzaldehyde;6-hydroxy-7-methoxychromen-2-one
CID 160954791
2-(6-methoxy-2-oxochromen-7-yl)oxy-N-phenylacetamide
CID 62707255
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CID 163199437

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxychromen-2-one?
The IUPAC name of 6,7-dimethoxychromen-2-one (CID 159563577) is 6,7-dimethoxychromen-2-one.
What is the SMILES notation for 6,7-dimethoxychromen-2-one?
The canonical SMILES for 6,7-dimethoxychromen-2-one is COc1cc2ccc(=O)oc2cc1OC.COc1cc2ccc(=O)oc2cc1OC.
What is the InChIKey of 6,7-dimethoxychromen-2-one?
The InChIKey is MGXRDURKQAWOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H10O4/c2*1-13-9-5-7-3-4-11(12)15-8(7)6-10(9)14-2/h2*3-6H,1-2H3.
What are the key properties of 6,7-dimethoxychromen-2-one?
6,7-dimethoxychromen-2-one has a molecular weight of 412.39 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxychromen-2-one is sourced from PubChem (CID 159563577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).