7-methoxy-8-(7-methoxy-2-oxochromen-6-yl)chromen-2-one

C20H14O6 — CID 5319307

IUPAC7-methoxy-8-(7-methoxy-2-oxochromen-6-yl)chromen-2-one
SMILESCOc1cc2oc(=O)ccc2cc1-c1c(OC)ccc2ccc(=O)oc12
InChIInChI=1S/C20H14O6/c1-23-14-6-3-11-4-7-18(22)26-20(11)19(14)13-9-12-5-8-17(21)25-15(12)10-16(13)24-2/h3-10H,1-2H3
InChIKeyNFNSSVSQSNJVCR-UHFFFAOYSA-N
MW350.33 g/mol
LogP3.58
Rot. Bonds3

About 7-methoxy-8-(7-methoxy-2-oxochromen-6-yl)chromen-2-one

7-methoxy-8-(7-methoxy-2-oxochromen-6-yl)chromen-2-one (PubChem CID 5319307) has the molecular formula C20H14O6 and a molecular weight of 350.33 g/mol. Its IUPAC name is 7-methoxy-8-(7-methoxy-2-oxochromen-6-yl)chromen-2-one.

Molecular Properties

Compound Name7-methoxy-8-(7-methoxy-2-oxochromen-6-yl)chromen-2-one
PubChem CID5319307
Molecular FormulaC20H14O6
Molecular Weight350.33 g/mol
Exact Mass350.08
IUPAC Name7-methoxy-8-(7-methoxy-2-oxochromen-6-yl)chromen-2-one
SMILESCOc1cc2oc(=O)ccc2cc1-c1c(OC)ccc2ccc(=O)oc12
InChIInChI=1S/C20H14O6/c1-23-14-6-3-11-4-7-18(22)26-20(11)19(14)13-9-12-5-8-17(21)25-15(12)10-16(13)24-2/h3-10H,1-2H3
InChIKeyNFNSSVSQSNJVCR-UHFFFAOYSA-N
XLogP3.58
TPSA78.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-8-(7-methoxy-2-oxochromen-6-yl)chromen-2-one?
The IUPAC name of 7-methoxy-8-(7-methoxy-2-oxochromen-6-yl)chromen-2-one (CID 5319307) is 7-methoxy-8-(7-methoxy-2-oxochromen-6-yl)chromen-2-one.
What is the SMILES notation for 7-methoxy-8-(7-methoxy-2-oxochromen-6-yl)chromen-2-one?
The canonical SMILES for 7-methoxy-8-(7-methoxy-2-oxochromen-6-yl)chromen-2-one is COc1cc2oc(=O)ccc2cc1-c1c(OC)ccc2ccc(=O)oc12.
What is the InChIKey of 7-methoxy-8-(7-methoxy-2-oxochromen-6-yl)chromen-2-one?
The InChIKey is NFNSSVSQSNJVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O6/c1-23-14-6-3-11-4-7-18(22)26-20(11)19(14)13-9-12-5-8-17(21)25-15(12)10-16(13)24-2/h3-10H,1-2H3.
What are the key properties of 7-methoxy-8-(7-methoxy-2-oxochromen-6-yl)chromen-2-one?
7-methoxy-8-(7-methoxy-2-oxochromen-6-yl)chromen-2-one has a molecular weight of 350.33 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-8-(7-methoxy-2-oxochromen-6-yl)chromen-2-one is sourced from PubChem (CID 5319307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).