dimethyl 1,3-bis(4-methoxyphenyl)-4,6-dihydrocyclopenta[c]furan-5,5-dicarboxylate

C25H24O7 — CID 132990625

IUPACdimethyl 1,3-bis(4-methoxyphenyl)-4,6-dihydrocyclopenta[c]furan-5,5-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)Cc2c(-c3ccc(OC)cc3)oc(-c3ccc(OC)cc3)c2C1
InChIInChI=1S/C25H24O7/c1-28-17-9-5-15(6-10-17)21-19-13-25(23(26)30-3,24(27)31-4)14-20(19)22(32-21)16-7-11-18(29-2)12-8-16/h5-12H,13-14H2,1-4H3
InChIKeyJLXMMHUIJKWHRI-UHFFFAOYSA-N
MW436.46 g/mol
LogP4.06
Rot. Bonds6

About dimethyl 1,3-bis(4-methoxyphenyl)-4,6-dihydrocyclopenta[c]furan-5,5-dicarboxylate

dimethyl 1,3-bis(4-methoxyphenyl)-4,6-dihydrocyclopenta[c]furan-5,5-dicarboxylate (PubChem CID 132990625) has the molecular formula C25H24O7 and a molecular weight of 436.46 g/mol. Its IUPAC name is dimethyl 1,3-bis(4-methoxyphenyl)-4,6-dihydrocyclopenta[c]furan-5,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1,3-bis(4-methoxyphenyl)-4,6-dihydrocyclopenta[c]furan-5,5-dicarboxylate
PubChem CID132990625
Molecular FormulaC25H24O7
Molecular Weight436.46 g/mol
Exact Mass436.15
IUPAC Namedimethyl 1,3-bis(4-methoxyphenyl)-4,6-dihydrocyclopenta[c]furan-5,5-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)Cc2c(-c3ccc(OC)cc3)oc(-c3ccc(OC)cc3)c2C1
InChIInChI=1S/C25H24O7/c1-28-17-9-5-15(6-10-17)21-19-13-25(23(26)30-3,24(27)31-4)14-20(19)22(32-21)16-7-11-18(29-2)12-8-16/h5-12H,13-14H2,1-4H3
InChIKeyJLXMMHUIJKWHRI-UHFFFAOYSA-N
XLogP4.06
TPSA84.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

dimethyl 3-(4-methoxyphenyl)cyclopent-3-ene-1,1-dicarboxylate
CID 10902346
methyl 4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]piperidine-4-carboxylate
CID 68507319
methyl 4-[4-(4-carbonazidoylphenyl)-5-(4-methoxyphenyl)-1,3-oxazol-2-yl]piperidine-4-carboxylate
CID 143548424
methyl 2-[4-(4-methoxyphenyl)phenyl]-2-oxoacetate
CID 125477773
4,5-bis(4-methoxyphenyl)-1,3-oxazole-2-carboxylic acid
CID 141107611
[1-[4-(4-methoxyphenyl)phenyl]cyclopropyl]carbamic acid
CID 121483236
N-[3,4-dihydroxy-5-(4-methoxyphenyl)furan-2-yl]acetamide
CID 90081194
methyl 4-[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-[hydroxy(methyl)carbamoyl]piperidine-4-carboxylate
CID 89031788
methyl 1-[(1R)-1-(4-methoxyphenyl)prop-2-enyl]cyclobutane-1-carboxylate
CID 134968785
methyl 3-(4-methylbenzoyl)oxetane-3-carboxylate
CID 116922468
dimethyl 1,4-dimethyl-3-(4-methylbenzoyl)-5,7-dihydrocyclopenta[c]pyridine-6,6-dicarboxylate
CID 177499205
dimethyl 4-methyl-6-trimethylsilyl-1,3-dihydroindene-2,2-dicarboxylate
CID 11544278

Frequently Asked Questions

What is the IUPAC name of dimethyl 1,3-bis(4-methoxyphenyl)-4,6-dihydrocyclopenta[c]furan-5,5-dicarboxylate?
The IUPAC name of dimethyl 1,3-bis(4-methoxyphenyl)-4,6-dihydrocyclopenta[c]furan-5,5-dicarboxylate (CID 132990625) is dimethyl 1,3-bis(4-methoxyphenyl)-4,6-dihydrocyclopenta[c]furan-5,5-dicarboxylate.
What is the SMILES notation for dimethyl 1,3-bis(4-methoxyphenyl)-4,6-dihydrocyclopenta[c]furan-5,5-dicarboxylate?
The canonical SMILES for dimethyl 1,3-bis(4-methoxyphenyl)-4,6-dihydrocyclopenta[c]furan-5,5-dicarboxylate is COC(=O)C1(C(=O)OC)Cc2c(-c3ccc(OC)cc3)oc(-c3ccc(OC)cc3)c2C1.
What is the InChIKey of dimethyl 1,3-bis(4-methoxyphenyl)-4,6-dihydrocyclopenta[c]furan-5,5-dicarboxylate?
The InChIKey is JLXMMHUIJKWHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O7/c1-28-17-9-5-15(6-10-17)21-19-13-25(23(26)30-3,24(27)31-4)14-20(19)22(32-21)16-7-11-18(29-2)12-8-16/h5-12H,13-14H2,1-4H3.
What are the key properties of dimethyl 1,3-bis(4-methoxyphenyl)-4,6-dihydrocyclopenta[c]furan-5,5-dicarboxylate?
dimethyl 1,3-bis(4-methoxyphenyl)-4,6-dihydrocyclopenta[c]furan-5,5-dicarboxylate has a molecular weight of 436.46 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1,3-bis(4-methoxyphenyl)-4,6-dihydrocyclopenta[c]furan-5,5-dicarboxylate is sourced from PubChem (CID 132990625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).