5-(4-methoxyphenyl)-1-methyl-3-phenyl-5,6-dihydrocyclopenta[c]furan-4-one

C21H18O3 — CID 101467022

IUPAC5-(4-methoxyphenyl)-1-methyl-3-phenyl-5,6-dihydrocyclopenta[c]furan-4-one
SMILESCOc1ccc(C2Cc3c(C)oc(-c4ccccc4)c3C2=O)cc1
InChIInChI=1S/C21H18O3/c1-13-17-12-18(14-8-10-16(23-2)11-9-14)20(22)19(17)21(24-13)15-6-4-3-5-7-15/h3-11,18H,12H2,1-2H3
InChIKeyJISUEOWNEDEGBC-UHFFFAOYSA-N
MW318.37 g/mol
LogP4.79
Rot. Bonds3

About 5-(4-methoxyphenyl)-1-methyl-3-phenyl-5,6-dihydrocyclopenta[c]furan-4-one

5-(4-methoxyphenyl)-1-methyl-3-phenyl-5,6-dihydrocyclopenta[c]furan-4-one (PubChem CID 101467022) has the molecular formula C21H18O3 and a molecular weight of 318.37 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-1-methyl-3-phenyl-5,6-dihydrocyclopenta[c]furan-4-one.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-1-methyl-3-phenyl-5,6-dihydrocyclopenta[c]furan-4-one
PubChem CID101467022
Molecular FormulaC21H18O3
Molecular Weight318.37 g/mol
Exact Mass318.13
IUPAC Name5-(4-methoxyphenyl)-1-methyl-3-phenyl-5,6-dihydrocyclopenta[c]furan-4-one
SMILESCOc1ccc(C2Cc3c(C)oc(-c4ccccc4)c3C2=O)cc1
InChIInChI=1S/C21H18O3/c1-13-17-12-18(14-8-10-16(23-2)11-9-14)20(22)19(17)21(24-13)15-6-4-3-5-7-15/h3-11,18H,12H2,1-2H3
InChIKeyJISUEOWNEDEGBC-UHFFFAOYSA-N
XLogP4.79
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-4-phenyl-5,6,7,8-tetrahydroisochromen-3-one
CID 162138090
3-(4-methoxyphenyl)-4-(4-methylphenyl)isochromen-1-one
CID 122367134
4-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]-2-(4-phenylphenyl)cyclobut-2-en-1-one
CID 132526198
(1S,4R)-4-(4-methoxyphenyl)-7-methyl-1,3,5-triphenyl-1,4-dihydrofuro[3,4-d]oxazine
CID 102041985
2-(4-methoxyphenyl)-3-methyl-8-[(Z)-prop-1-enyl]chromen-4-one
CID 70447712
methyl 2-methyl-4-oxo-5,6-diphenylpyran-3-carboxylate
CID 164684371
(5S)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole
CID 102399279
5-(4-methoxyphenyl)-2,3-diphenylfuran
CID 2733040
(2S)-2-(4-methoxyphenyl)-5-phenyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one
CID 7288086
2-(3-methoxyphenyl)-3-(methylamino)-5-phenylcyclopent-2-en-1-one
CID 22153096
5,6-dihydroxy-10-(4-methoxyphenyl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 71827157
3-(4-methoxyphenyl)-1-methyl-4,5-dihydro-2-benzofuran
CID 15352540

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-1-methyl-3-phenyl-5,6-dihydrocyclopenta[c]furan-4-one?
The IUPAC name of 5-(4-methoxyphenyl)-1-methyl-3-phenyl-5,6-dihydrocyclopenta[c]furan-4-one (CID 101467022) is 5-(4-methoxyphenyl)-1-methyl-3-phenyl-5,6-dihydrocyclopenta[c]furan-4-one.
What is the SMILES notation for 5-(4-methoxyphenyl)-1-methyl-3-phenyl-5,6-dihydrocyclopenta[c]furan-4-one?
The canonical SMILES for 5-(4-methoxyphenyl)-1-methyl-3-phenyl-5,6-dihydrocyclopenta[c]furan-4-one is COc1ccc(C2Cc3c(C)oc(-c4ccccc4)c3C2=O)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-1-methyl-3-phenyl-5,6-dihydrocyclopenta[c]furan-4-one?
The InChIKey is JISUEOWNEDEGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O3/c1-13-17-12-18(14-8-10-16(23-2)11-9-14)20(22)19(17)21(24-13)15-6-4-3-5-7-15/h3-11,18H,12H2,1-2H3.
What are the key properties of 5-(4-methoxyphenyl)-1-methyl-3-phenyl-5,6-dihydrocyclopenta[c]furan-4-one?
5-(4-methoxyphenyl)-1-methyl-3-phenyl-5,6-dihydrocyclopenta[c]furan-4-one has a molecular weight of 318.37 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-1-methyl-3-phenyl-5,6-dihydrocyclopenta[c]furan-4-one is sourced from PubChem (CID 101467022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).