diphenyl 2-cyclopentylpropanedioate

C20H20O4 — CID 102478722

IUPACdiphenyl 2-cyclopentylpropanedioate
SMILESO=C(Oc1ccccc1)C(C(=O)Oc1ccccc1)C1CCCC1
InChIInChI=1S/C20H20O4/c21-19(23-16-11-3-1-4-12-16)18(15-9-7-8-10-15)20(22)24-17-13-5-2-6-14-17/h1-6,11-15,18H,7-10H2
InChIKeyYWZDKZJVXPIQAE-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.00
Rot. Bonds5

About diphenyl 2-cyclopentylpropanedioate

diphenyl 2-cyclopentylpropanedioate (PubChem CID 102478722) has the molecular formula C20H20O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is diphenyl 2-cyclopentylpropanedioate.

Molecular Properties

Compound Namediphenyl 2-cyclopentylpropanedioate
PubChem CID102478722
Molecular FormulaC20H20O4
Molecular Weight324.38 g/mol
Exact Mass324.14
IUPAC Namediphenyl 2-cyclopentylpropanedioate
SMILESO=C(Oc1ccccc1)C(C(=O)Oc1ccccc1)C1CCCC1
InChIInChI=1S/C20H20O4/c21-19(23-16-11-3-1-4-12-16)18(15-9-7-8-10-15)20(22)24-17-13-5-2-6-14-17/h1-6,11-15,18H,7-10H2
InChIKeyYWZDKZJVXPIQAE-UHFFFAOYSA-N
XLogP4.00
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze diphenyl 2-cyclopentylpropanedioate with MolForge

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

Launch Full Analysis

Related Compounds

phenyl 3-cyclohexyl-3-hydroxy-2-methylpropanoate
CID 72790163
phenyl 2-cyclohexyl-2-(diaminomethylideneamino)acetate
CID 174535676
trans-diphenyl (1R,2R)-cyclohexane-1,2-dicarboxylate
CID 15685593
phenyl (2R,3R)-3-cyclohexyl-3-hydroxy-2-(phenylsulfanylmethyl)propanoate
CID 101440660
phenyl N-cyclopentylcarbamate
CID 12791466
phenyl N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)carbamate
CID 61124032
phenyl N-cyclooctylcarbamate
CID 60636968
phenyl (3S)-3-cyclohexylpentanoate
CID 157293682
2-cyclopentyl-3-oxo-3-phenylpropanoic acid
CID 174799211
hydron;phenyl cycloheptanecarboxylate
CID 174768034
(2R,3S)-2,3-bis(phenoxycarbonyl)butanedioic acid
CID 1268149
phenyl N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]carbamate
CID 135154221

Frequently Asked Questions

What is the IUPAC name of diphenyl 2-cyclopentylpropanedioate?
The IUPAC name of diphenyl 2-cyclopentylpropanedioate (CID 102478722) is diphenyl 2-cyclopentylpropanedioate.
What is the SMILES notation for diphenyl 2-cyclopentylpropanedioate?
The canonical SMILES for diphenyl 2-cyclopentylpropanedioate is O=C(Oc1ccccc1)C(C(=O)Oc1ccccc1)C1CCCC1.
What is the InChIKey of diphenyl 2-cyclopentylpropanedioate?
The InChIKey is YWZDKZJVXPIQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O4/c21-19(23-16-11-3-1-4-12-16)18(15-9-7-8-10-15)20(22)24-17-13-5-2-6-14-17/h1-6,11-15,18H,7-10H2.
What are the key properties of diphenyl 2-cyclopentylpropanedioate?
diphenyl 2-cyclopentylpropanedioate has a molecular weight of 324.38 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl 2-cyclopentylpropanedioate is sourced from PubChem (CID 102478722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).