9-(3,5-dimethoxyphenyl)-6-methoxy-3,9-dihydrofuro[3,4-b]chromen-1-one

C20H18O6 — CID 44593021

IUPAC9-(3,5-dimethoxyphenyl)-6-methoxy-3,9-dihydrofuro[3,4-b]chromen-1-one
SMILESCOc1cc(OC)cc(C2C3=C(COC3=O)Oc3cc(OC)ccc32)c1
InChIInChI=1S/C20H18O6/c1-22-12-4-5-15-16(9-12)26-17-10-25-20(21)19(17)18(15)11-6-13(23-2)8-14(7-11)24-3/h4-9,18H,10H2,1-3H3
InChIKeyBXONXNFSQMYONS-UHFFFAOYSA-N
MW354.36 g/mol
LogP3.05
Rot. Bonds4

About 9-(3,5-dimethoxyphenyl)-6-methoxy-3,9-dihydrofuro[3,4-b]chromen-1-one

9-(3,5-dimethoxyphenyl)-6-methoxy-3,9-dihydrofuro[3,4-b]chromen-1-one (PubChem CID 44593021) has the molecular formula C20H18O6 and a molecular weight of 354.36 g/mol. Its IUPAC name is 9-(3,5-dimethoxyphenyl)-6-methoxy-3,9-dihydrofuro[3,4-b]chromen-1-one.

Molecular Properties

Compound Name9-(3,5-dimethoxyphenyl)-6-methoxy-3,9-dihydrofuro[3,4-b]chromen-1-one
PubChem CID44593021
Molecular FormulaC20H18O6
Molecular Weight354.36 g/mol
Exact Mass354.11
IUPAC Name9-(3,5-dimethoxyphenyl)-6-methoxy-3,9-dihydrofuro[3,4-b]chromen-1-one
SMILESCOc1cc(OC)cc(C2C3=C(COC3=O)Oc3cc(OC)ccc32)c1
InChIInChI=1S/C20H18O6/c1-22-12-4-5-15-16(9-12)26-17-10-25-20(21)19(17)18(15)11-6-13(23-2)8-14(7-11)24-3/h4-9,18H,10H2,1-3H3
InChIKeyBXONXNFSQMYONS-UHFFFAOYSA-N
XLogP3.05
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-(3,5-dimethoxyphenyl)-6-methoxy-3,9-dihydrofuro[3,4-b]chromen-1-one?
The IUPAC name of 9-(3,5-dimethoxyphenyl)-6-methoxy-3,9-dihydrofuro[3,4-b]chromen-1-one (CID 44593021) is 9-(3,5-dimethoxyphenyl)-6-methoxy-3,9-dihydrofuro[3,4-b]chromen-1-one.
What is the SMILES notation for 9-(3,5-dimethoxyphenyl)-6-methoxy-3,9-dihydrofuro[3,4-b]chromen-1-one?
The canonical SMILES for 9-(3,5-dimethoxyphenyl)-6-methoxy-3,9-dihydrofuro[3,4-b]chromen-1-one is COc1cc(OC)cc(C2C3=C(COC3=O)Oc3cc(OC)ccc32)c1.
What is the InChIKey of 9-(3,5-dimethoxyphenyl)-6-methoxy-3,9-dihydrofuro[3,4-b]chromen-1-one?
The InChIKey is BXONXNFSQMYONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O6/c1-22-12-4-5-15-16(9-12)26-17-10-25-20(21)19(17)18(15)11-6-13(23-2)8-14(7-11)24-3/h4-9,18H,10H2,1-3H3.
What are the key properties of 9-(3,5-dimethoxyphenyl)-6-methoxy-3,9-dihydrofuro[3,4-b]chromen-1-one?
9-(3,5-dimethoxyphenyl)-6-methoxy-3,9-dihydrofuro[3,4-b]chromen-1-one has a molecular weight of 354.36 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,5-dimethoxyphenyl)-6-methoxy-3,9-dihydrofuro[3,4-b]chromen-1-one is sourced from PubChem (CID 44593021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).