1-O-(furan-2-ylmethyl) 3-O-methyl 2,4-diphenylcyclobutane-1,3-dicarboxylate

C24H22O5 — CID 3137246

IUPAC1-O-(furan-2-ylmethyl) 3-O-methyl 2,4-diphenylcyclobutane-1,3-dicarboxylate
SMILESCOC(=O)C1C(c2ccccc2)C(C(=O)OCc2ccco2)C1c1ccccc1
InChIInChI=1S/C24H22O5/c1-27-23(25)21-19(16-9-4-2-5-10-16)22(20(21)17-11-6-3-7-12-17)24(26)29-15-18-13-8-14-28-18/h2-14,19-22H,15H2,1H3
InChIKeyITOVSSYSAXUENV-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.31
Rot. Bonds6

About 1-O-(furan-2-ylmethyl) 3-O-methyl 2,4-diphenylcyclobutane-1,3-dicarboxylate

1-O-(furan-2-ylmethyl) 3-O-methyl 2,4-diphenylcyclobutane-1,3-dicarboxylate (PubChem CID 3137246) has the molecular formula C24H22O5 and a molecular weight of 390.44 g/mol. Its IUPAC name is 1-O-(furan-2-ylmethyl) 3-O-methyl 2,4-diphenylcyclobutane-1,3-dicarboxylate.

Molecular Properties

Compound Name1-O-(furan-2-ylmethyl) 3-O-methyl 2,4-diphenylcyclobutane-1,3-dicarboxylate
PubChem CID3137246
Molecular FormulaC24H22O5
Molecular Weight390.44 g/mol
Exact Mass390.15
IUPAC Name1-O-(furan-2-ylmethyl) 3-O-methyl 2,4-diphenylcyclobutane-1,3-dicarboxylate
SMILESCOC(=O)C1C(c2ccccc2)C(C(=O)OCc2ccco2)C1c1ccccc1
InChIInChI=1S/C24H22O5/c1-27-23(25)21-19(16-9-4-2-5-10-16)22(20(21)17-11-6-3-7-12-17)24(26)29-15-18-13-8-14-28-18/h2-14,19-22H,15H2,1H3
InChIKeyITOVSSYSAXUENV-UHFFFAOYSA-N
XLogP4.31
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-O-(furan-2-ylmethyl) 3-O-methyl 2,4-diphenylcyclobutane-1,3-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-O-(furan-2-ylmethyl) 3-O-methyl 2,4-diphenylcyclobutane-1,3-dicarboxylate?
The IUPAC name of 1-O-(furan-2-ylmethyl) 3-O-methyl 2,4-diphenylcyclobutane-1,3-dicarboxylate (CID 3137246) is 1-O-(furan-2-ylmethyl) 3-O-methyl 2,4-diphenylcyclobutane-1,3-dicarboxylate.
What is the SMILES notation for 1-O-(furan-2-ylmethyl) 3-O-methyl 2,4-diphenylcyclobutane-1,3-dicarboxylate?
The canonical SMILES for 1-O-(furan-2-ylmethyl) 3-O-methyl 2,4-diphenylcyclobutane-1,3-dicarboxylate is COC(=O)C1C(c2ccccc2)C(C(=O)OCc2ccco2)C1c1ccccc1.
What is the InChIKey of 1-O-(furan-2-ylmethyl) 3-O-methyl 2,4-diphenylcyclobutane-1,3-dicarboxylate?
The InChIKey is ITOVSSYSAXUENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O5/c1-27-23(25)21-19(16-9-4-2-5-10-16)22(20(21)17-11-6-3-7-12-17)24(26)29-15-18-13-8-14-28-18/h2-14,19-22H,15H2,1H3.
What are the key properties of 1-O-(furan-2-ylmethyl) 3-O-methyl 2,4-diphenylcyclobutane-1,3-dicarboxylate?
1-O-(furan-2-ylmethyl) 3-O-methyl 2,4-diphenylcyclobutane-1,3-dicarboxylate has a molecular weight of 390.44 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-(furan-2-ylmethyl) 3-O-methyl 2,4-diphenylcyclobutane-1,3-dicarboxylate is sourced from PubChem (CID 3137246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).