diethyl 3-(2-methoxyphenyl)-4,9b-dihydro-1H-cyclopenta[c]chromene-2,2-dicarboxylate

C25H26O6 — CID 102293136

IUPACdiethyl 3-(2-methoxyphenyl)-4,9b-dihydro-1H-cyclopenta[c]chromene-2,2-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CC2C(=C1c1ccccc1OC)COc1ccccc12
InChIInChI=1S/C25H26O6/c1-4-29-23(26)25(24(27)30-5-2)14-18-16-10-6-9-13-21(16)31-15-19(18)22(25)17-11-7-8-12-20(17)28-3/h6-13,18H,4-5,14-15H2,1-3H3
InChIKeyODZIJQGWNASMCQ-UHFFFAOYSA-N
MW422.48 g/mol
LogP4.14
Rot. Bonds6

About diethyl 3-(2-methoxyphenyl)-4,9b-dihydro-1H-cyclopenta[c]chromene-2,2-dicarboxylate

diethyl 3-(2-methoxyphenyl)-4,9b-dihydro-1H-cyclopenta[c]chromene-2,2-dicarboxylate (PubChem CID 102293136) has the molecular formula C25H26O6 and a molecular weight of 422.48 g/mol. Its IUPAC name is diethyl 3-(2-methoxyphenyl)-4,9b-dihydro-1H-cyclopenta[c]chromene-2,2-dicarboxylate.

Molecular Properties

Compound Namediethyl 3-(2-methoxyphenyl)-4,9b-dihydro-1H-cyclopenta[c]chromene-2,2-dicarboxylate
PubChem CID102293136
Molecular FormulaC25H26O6
Molecular Weight422.48 g/mol
Exact Mass422.17
IUPAC Namediethyl 3-(2-methoxyphenyl)-4,9b-dihydro-1H-cyclopenta[c]chromene-2,2-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CC2C(=C1c1ccccc1OC)COc1ccccc12
InChIInChI=1S/C25H26O6/c1-4-29-23(26)25(24(27)30-5-2)14-18-16-10-6-9-13-21(16)31-15-19(18)22(25)17-11-7-8-12-20(17)28-3/h6-13,18H,4-5,14-15H2,1-3H3
InChIKeyODZIJQGWNASMCQ-UHFFFAOYSA-N
XLogP4.14
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethyl 1-amino-2-(2-methoxyphenyl)cyclopropane-1-carboxylate
CID 82363625
ethyl (1R,3S,9bR)-3-hydroxy-1-(2-methoxyphenyl)-5-oxo-2,3-dihydro-1H-pyrrolo[2,1-a]isoindole-9b-carboxylate
CID 122386021
ethyl (7Z)-7-hydroxyimino-1,7a-dihydrocyclopropa[b]chromene-1a-carboxylate
CID 6324610
ethyl (1aR,7bS)-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-1-carboxylate
CID 67048066
ethyl 4,6-bis(2-methoxyphenyl)-2-oxocyclohex-3-ene-1-carboxylate
CID 91653457
diethyl 2-(2-chlorophenyl)cyclopropane-1,1-dicarboxylate
CID 12641252
ethyl 1-amino-2-(2,3-dichlorophenyl)cyclopropane-1-carboxylate
CID 82363645
diethyl 2-(ethoxycarbonyloxymethyl)-3-(2-methoxyphenyl)indene-1,1-dicarboxylate
CID 24814295
methyl 2-(2,3-dihydro-1-benzofuran-3-ylamino)butanoate
CID 113292622
ethyl 2-hydroxy-7-methoxy-3-oxo-1H-indene-2-carboxylate
CID 158400302
2-[(3R)-4-methoxy-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 129462509
ethyl 4-amino-2,3-dihydrochromene-4-carboxylate
CID 3944354

Frequently Asked Questions

What is the IUPAC name of diethyl 3-(2-methoxyphenyl)-4,9b-dihydro-1H-cyclopenta[c]chromene-2,2-dicarboxylate?
The IUPAC name of diethyl 3-(2-methoxyphenyl)-4,9b-dihydro-1H-cyclopenta[c]chromene-2,2-dicarboxylate (CID 102293136) is diethyl 3-(2-methoxyphenyl)-4,9b-dihydro-1H-cyclopenta[c]chromene-2,2-dicarboxylate.
What is the SMILES notation for diethyl 3-(2-methoxyphenyl)-4,9b-dihydro-1H-cyclopenta[c]chromene-2,2-dicarboxylate?
The canonical SMILES for diethyl 3-(2-methoxyphenyl)-4,9b-dihydro-1H-cyclopenta[c]chromene-2,2-dicarboxylate is CCOC(=O)C1(C(=O)OCC)CC2C(=C1c1ccccc1OC)COc1ccccc12.
What is the InChIKey of diethyl 3-(2-methoxyphenyl)-4,9b-dihydro-1H-cyclopenta[c]chromene-2,2-dicarboxylate?
The InChIKey is ODZIJQGWNASMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O6/c1-4-29-23(26)25(24(27)30-5-2)14-18-16-10-6-9-13-21(16)31-15-19(18)22(25)17-11-7-8-12-20(17)28-3/h6-13,18H,4-5,14-15H2,1-3H3.
What are the key properties of diethyl 3-(2-methoxyphenyl)-4,9b-dihydro-1H-cyclopenta[c]chromene-2,2-dicarboxylate?
diethyl 3-(2-methoxyphenyl)-4,9b-dihydro-1H-cyclopenta[c]chromene-2,2-dicarboxylate has a molecular weight of 422.48 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 3-(2-methoxyphenyl)-4,9b-dihydro-1H-cyclopenta[c]chromene-2,2-dicarboxylate is sourced from PubChem (CID 102293136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).