7-(4-methoxyphenyl)-3,9-dimethyl-6,7-dihydrofuro[3,2-g]chromen-5-one

C20H18O4 — CID 25147894

IUPAC7-(4-methoxyphenyl)-3,9-dimethyl-6,7-dihydrofuro[3,2-g]chromen-5-one
SMILESCOc1ccc(C2CC(=O)c3cc4c(C)coc4c(C)c3O2)cc1
InChIInChI=1S/C20H18O4/c1-11-10-23-19-12(2)20-16(8-15(11)19)17(21)9-18(24-20)13-4-6-14(22-3)7-5-13/h4-8,10,18H,9H2,1-3H3
InChIKeyBWGWBETXAJTGQC-UHFFFAOYSA-N
MW322.36 g/mol
LogP4.76
Rot. Bonds2

About 7-(4-methoxyphenyl)-3,9-dimethyl-6,7-dihydrofuro[3,2-g]chromen-5-one

7-(4-methoxyphenyl)-3,9-dimethyl-6,7-dihydrofuro[3,2-g]chromen-5-one (PubChem CID 25147894) has the molecular formula C20H18O4 and a molecular weight of 322.36 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)-3,9-dimethyl-6,7-dihydrofuro[3,2-g]chromen-5-one.

Molecular Properties

Compound Name7-(4-methoxyphenyl)-3,9-dimethyl-6,7-dihydrofuro[3,2-g]chromen-5-one
PubChem CID25147894
Molecular FormulaC20H18O4
Molecular Weight322.36 g/mol
Exact Mass322.12
IUPAC Name7-(4-methoxyphenyl)-3,9-dimethyl-6,7-dihydrofuro[3,2-g]chromen-5-one
SMILESCOc1ccc(C2CC(=O)c3cc4c(C)coc4c(C)c3O2)cc1
InChIInChI=1S/C20H18O4/c1-11-10-23-19-12(2)20-16(8-15(11)19)17(21)9-18(24-20)13-4-6-14(22-3)7-5-13/h4-8,10,18H,9H2,1-3H3
InChIKeyBWGWBETXAJTGQC-UHFFFAOYSA-N
XLogP4.76
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-(4-chlorophenyl)-3,9-dimethyl-6,7-dihydrofuro[3,2-g]chromen-5-one
CID 25148237
6,8-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one
CID 24978119
5-(4-methoxyphenyl)-3,9-dimethylfuro[3,2-g]chromen-7-one
CID 707772
7-fluoro-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 5271543
3-methyl-7-phenyl-6,7-dihydrofuro[3,2-g]chromen-5-one
CID 25148235
5-(4-methoxyphenyl)-2-propan-2-ylideneoxolan-3-one
CID 23250319
(2S)-2-(4-fluorophenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 853029
2-(4-fluoro-3-methylphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672406
6-methoxy-3-(4-methoxyphenyl)-3,4-dihydroisochromen-1-one
CID 86216518
3-(4-methoxyphenyl)-7-methyl-3,4-dihydroisochromen-1-one
CID 135032687
2-(3,5-dimethylphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672605
4-[(2R)-7-methoxy-4-oxo-2,3-dihydrochromen-2-yl]benzoic acid
CID 93179406

Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxyphenyl)-3,9-dimethyl-6,7-dihydrofuro[3,2-g]chromen-5-one?
The IUPAC name of 7-(4-methoxyphenyl)-3,9-dimethyl-6,7-dihydrofuro[3,2-g]chromen-5-one (CID 25147894) is 7-(4-methoxyphenyl)-3,9-dimethyl-6,7-dihydrofuro[3,2-g]chromen-5-one.
What is the SMILES notation for 7-(4-methoxyphenyl)-3,9-dimethyl-6,7-dihydrofuro[3,2-g]chromen-5-one?
The canonical SMILES for 7-(4-methoxyphenyl)-3,9-dimethyl-6,7-dihydrofuro[3,2-g]chromen-5-one is COc1ccc(C2CC(=O)c3cc4c(C)coc4c(C)c3O2)cc1.
What is the InChIKey of 7-(4-methoxyphenyl)-3,9-dimethyl-6,7-dihydrofuro[3,2-g]chromen-5-one?
The InChIKey is BWGWBETXAJTGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O4/c1-11-10-23-19-12(2)20-16(8-15(11)19)17(21)9-18(24-20)13-4-6-14(22-3)7-5-13/h4-8,10,18H,9H2,1-3H3.
What are the key properties of 7-(4-methoxyphenyl)-3,9-dimethyl-6,7-dihydrofuro[3,2-g]chromen-5-one?
7-(4-methoxyphenyl)-3,9-dimethyl-6,7-dihydrofuro[3,2-g]chromen-5-one has a molecular weight of 322.36 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxyphenyl)-3,9-dimethyl-6,7-dihydrofuro[3,2-g]chromen-5-one is sourced from PubChem (CID 25147894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).