3,3-diphenylcyclopropane-1,2-dicarboxylic acid

C17H14O4 — CID 2897983

IUPAC3,3-diphenylcyclopropane-1,2-dicarboxylic acid
SMILESO=C(O)C1C(C(=O)O)C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H14O4/c18-15(19)13-14(16(20)21)17(13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H,(H,18,19)(H,20,21)
InChIKeyZRZIECPVJOBCAO-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.39
Rot. Bonds4

About 3,3-diphenylcyclopropane-1,2-dicarboxylic acid

3,3-diphenylcyclopropane-1,2-dicarboxylic acid (PubChem CID 2897983) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 3,3-diphenylcyclopropane-1,2-dicarboxylic acid.

Molecular Properties

Compound Name3,3-diphenylcyclopropane-1,2-dicarboxylic acid
PubChem CID2897983
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Name3,3-diphenylcyclopropane-1,2-dicarboxylic acid
SMILESO=C(O)C1C(C(=O)O)C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H14O4/c18-15(19)13-14(16(20)21)17(13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H,(H,18,19)(H,20,21)
InChIKeyZRZIECPVJOBCAO-UHFFFAOYSA-N
XLogP2.39
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3,3-diphenylcyclopropane-1,2-dicarboxylic acid 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 3,3-diphenylcyclopropane-1,2-dicarboxylic acid?
The IUPAC name of 3,3-diphenylcyclopropane-1,2-dicarboxylic acid (CID 2897983) is 3,3-diphenylcyclopropane-1,2-dicarboxylic acid.
What is the SMILES notation for 3,3-diphenylcyclopropane-1,2-dicarboxylic acid?
The canonical SMILES for 3,3-diphenylcyclopropane-1,2-dicarboxylic acid is O=C(O)C1C(C(=O)O)C1(c1ccccc1)c1ccccc1.
What is the InChIKey of 3,3-diphenylcyclopropane-1,2-dicarboxylic acid?
The InChIKey is ZRZIECPVJOBCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O4/c18-15(19)13-14(16(20)21)17(13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H,(H,18,19)(H,20,21).
What are the key properties of 3,3-diphenylcyclopropane-1,2-dicarboxylic acid?
3,3-diphenylcyclopropane-1,2-dicarboxylic acid has a molecular weight of 282.30 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diphenylcyclopropane-1,2-dicarboxylic acid is sourced from PubChem (CID 2897983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).