ethyl 6-(4-methoxyphenyl)-1-methyl-3-naphthalen-1-yl-4-phenyl-6H-cyclopenta[c]furan-5-carboxylate

C34H28O4 — CID 102523921

IUPACethyl 6-(4-methoxyphenyl)-1-methyl-3-naphthalen-1-yl-4-phenyl-6H-cyclopenta[c]furan-5-carboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)c2c(-c3cccc4ccccc34)oc(C)c2C1c1ccc(OC)cc1
InChIInChI=1S/C34H28O4/c1-4-37-34(35)32-29(24-17-19-25(36-3)20-18-24)28-21(2)38-33(31(28)30(32)23-12-6-5-7-13-23)27-16-10-14-22-11-8-9-15-26(22)27/h5-20,29H,4H2,1-3H3
InChIKeyKBBBFDNHOHAEOP-UHFFFAOYSA-N
MW500.59 g/mol
LogP7.93
Rot. Bonds6

About ethyl 6-(4-methoxyphenyl)-1-methyl-3-naphthalen-1-yl-4-phenyl-6H-cyclopenta[c]furan-5-carboxylate

ethyl 6-(4-methoxyphenyl)-1-methyl-3-naphthalen-1-yl-4-phenyl-6H-cyclopenta[c]furan-5-carboxylate (PubChem CID 102523921) has the molecular formula C34H28O4 and a molecular weight of 500.59 g/mol. Its IUPAC name is ethyl 6-(4-methoxyphenyl)-1-methyl-3-naphthalen-1-yl-4-phenyl-6H-cyclopenta[c]furan-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-(4-methoxyphenyl)-1-methyl-3-naphthalen-1-yl-4-phenyl-6H-cyclopenta[c]furan-5-carboxylate
PubChem CID102523921
Molecular FormulaC34H28O4
Molecular Weight500.59 g/mol
Exact Mass500.20
IUPAC Nameethyl 6-(4-methoxyphenyl)-1-methyl-3-naphthalen-1-yl-4-phenyl-6H-cyclopenta[c]furan-5-carboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)c2c(-c3cccc4ccccc34)oc(C)c2C1c1ccc(OC)cc1
InChIInChI=1S/C34H28O4/c1-4-37-34(35)32-29(24-17-19-25(36-3)20-18-24)28-21(2)38-33(31(28)30(32)23-12-6-5-7-13-23)27-16-10-14-22-11-8-9-15-26(22)27/h5-20,29H,4H2,1-3H3
InChIKeyKBBBFDNHOHAEOP-UHFFFAOYSA-N
XLogP7.93
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.59
LogP ≤ 57.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 6-(4-methoxyphenyl)-1-methyl-3-naphthalen-1-yl-4-phenyl-6H-cyclopenta[c]furan-5-carboxylate with MolForge

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Related Compounds

methyl 1-methyl-3,4,6-triphenyl-6H-cyclopenta[c]furan-5-carboxylate
CID 102523923
diethyl 2-naphthalen-1-ylazulene-1,3-dicarboxylate
CID 10834680
ethyl (4S)-2-amino-4-(4-methoxyphenyl)-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate
CID 1426600
ethyl 4-(4-ethoxycarbonylphenyl)-5-naphthalen-1-ylfuran-3-carboxylate
CID 71500674
ethyl 2-amino-4-(4-methoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate
CID 3800977
ethyl (4S)-2-amino-4-(4-methoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate
CID 1427519
ethyl 7-(4-methoxyphenyl)-2,5-dimethyl-3-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 135659240
ethyl 4-(2-aminophenyl)-13-(4-methoxyphenyl)-11-methyl-10-oxa-3,5,6,8-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,11-pentaene-12-carboxylate
CID 4893007
ethyl 4-(4-methoxyphenyl)-9-oxo-3-phenylxanthene-2-carboxylate
CID 164686101
ethyl (1R)-3-amino-1-phenyl-1H-benzo[f]chromene-2-carboxylate
CID 917052
ethyl 2-methoxy-4,5-diphenylfuran-3-carboxylate
CID 11056368
ethyl (1S,2R)-2-(4-methoxyphenyl)-5-oxo-3,4-diphenylcyclopent-3-ene-1-carboxylate
CID 16724985

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(4-methoxyphenyl)-1-methyl-3-naphthalen-1-yl-4-phenyl-6H-cyclopenta[c]furan-5-carboxylate?
The IUPAC name of ethyl 6-(4-methoxyphenyl)-1-methyl-3-naphthalen-1-yl-4-phenyl-6H-cyclopenta[c]furan-5-carboxylate (CID 102523921) is ethyl 6-(4-methoxyphenyl)-1-methyl-3-naphthalen-1-yl-4-phenyl-6H-cyclopenta[c]furan-5-carboxylate.
What is the SMILES notation for ethyl 6-(4-methoxyphenyl)-1-methyl-3-naphthalen-1-yl-4-phenyl-6H-cyclopenta[c]furan-5-carboxylate?
The canonical SMILES for ethyl 6-(4-methoxyphenyl)-1-methyl-3-naphthalen-1-yl-4-phenyl-6H-cyclopenta[c]furan-5-carboxylate is CCOC(=O)C1=C(c2ccccc2)c2c(-c3cccc4ccccc34)oc(C)c2C1c1ccc(OC)cc1.
What is the InChIKey of ethyl 6-(4-methoxyphenyl)-1-methyl-3-naphthalen-1-yl-4-phenyl-6H-cyclopenta[c]furan-5-carboxylate?
The InChIKey is KBBBFDNHOHAEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28O4/c1-4-37-34(35)32-29(24-17-19-25(36-3)20-18-24)28-21(2)38-33(31(28)30(32)23-12-6-5-7-13-23)27-16-10-14-22-11-8-9-15-26(22)27/h5-20,29H,4H2,1-3H3.
What are the key properties of ethyl 6-(4-methoxyphenyl)-1-methyl-3-naphthalen-1-yl-4-phenyl-6H-cyclopenta[c]furan-5-carboxylate?
ethyl 6-(4-methoxyphenyl)-1-methyl-3-naphthalen-1-yl-4-phenyl-6H-cyclopenta[c]furan-5-carboxylate has a molecular weight of 500.59 g/mol, XLogP of 7.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(4-methoxyphenyl)-1-methyl-3-naphthalen-1-yl-4-phenyl-6H-cyclopenta[c]furan-5-carboxylate is sourced from PubChem (CID 102523921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).