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

C17H14O4 — CID 18401961

IUPAC2,2-diphenylcyclopropane-1,1-dicarboxylic acid
SMILESO=C(O)C1(C(=O)O)CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H14O4/c18-14(19)17(15(20)21)11-16(17,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2,(H,18,19)(H,20,21)
InChIKeyNMEWAIPGOCNGAB-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.53
Rot. Bonds4

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

2,2-diphenylcyclopropane-1,1-dicarboxylic acid (PubChem CID 18401961) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2,2-diphenylcyclopropane-1,1-dicarboxylic acid.

Molecular Properties

Compound Name2,2-diphenylcyclopropane-1,1-dicarboxylic acid
PubChem CID18401961
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Name2,2-diphenylcyclopropane-1,1-dicarboxylic acid
SMILESO=C(O)C1(C(=O)O)CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H14O4/c18-14(19)17(15(20)21)11-16(17,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2,(H,18,19)(H,20,21)
InChIKeyNMEWAIPGOCNGAB-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-methyl-2,2-diphenylcyclopropane-1-carboxamide
CID 86339419
methyl 1-(2-diazoacetyl)-2,2-diphenylcyclopropane-1-carboxylate
CID 137234398
trans-(1S,2R)-1-amino-2-methyl-2-phenylcyclopropane-1-carboxylic acid;hydrochloride
CID 126795409
methyl (1S)-1,2,2-triphenylcyclopropane-1-carboxylate
CID 100975897
cis-(1S,2R)-1-(aminomethyl)-2-fluoro-2-phenylcyclopropane-1-carboxylic acid
CID 11344820
trans-(1R,2R)-1-(aminomethyl)-2-fluoro-2-phenylcyclopropane-1-carboxylic acid
CID 11344819
methyl (1S)-1-amino-2,2-diphenylcyclopropane-1-carboxylate
CID 129408452
(5S,7S)-3-phenyladamantane-1-carboxylic acid
CID 98062703
1-phenylcyclopropane-1-carboxamide;hydrochloride
CID 57461944
2-phenyl-1,3-dihydroindene-2-carboxylic acid
CID 15055778
(1-methyl-2,2-diphenylcyclopropyl)benzene
CID 14338185
cis-(1S,2R)-2-(hydroxymethyl)-1-phenylcyclopropane-1-carboxylic acid
CID 10954383

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenylcyclopropane-1,1-dicarboxylic acid?
The IUPAC name of 2,2-diphenylcyclopropane-1,1-dicarboxylic acid (CID 18401961) is 2,2-diphenylcyclopropane-1,1-dicarboxylic acid.
What is the SMILES notation for 2,2-diphenylcyclopropane-1,1-dicarboxylic acid?
The canonical SMILES for 2,2-diphenylcyclopropane-1,1-dicarboxylic acid is O=C(O)C1(C(=O)O)CC1(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-diphenylcyclopropane-1,1-dicarboxylic acid?
The InChIKey is NMEWAIPGOCNGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O4/c18-14(19)17(15(20)21)11-16(17,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2,(H,18,19)(H,20,21).
What are the key properties of 2,2-diphenylcyclopropane-1,1-dicarboxylic acid?
2,2-diphenylcyclopropane-1,1-dicarboxylic acid has a molecular weight of 282.30 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenylcyclopropane-1,1-dicarboxylic acid is sourced from PubChem (CID 18401961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).