methyl 2-(1-phenylcyclopentanecarbonyl)oxy-3-propanoylbenzoate

C23H24O5 — CID 19972787

IUPACmethyl 2-(1-phenylcyclopentanecarbonyl)oxy-3-propanoylbenzoate
SMILESCCC(=O)c1cccc(C(=O)OC)c1OC(=O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C23H24O5/c1-3-19(24)17-12-9-13-18(21(25)27-2)20(17)28-22(26)23(14-7-8-15-23)16-10-5-4-6-11-16/h4-6,9-13H,3,7-8,14-15H2,1-2H3
InChIKeyPPGDMZWTTURIAP-UHFFFAOYSA-N
MW380.44 g/mol
LogP4.48
Rot. Bonds6

About methyl 2-(1-phenylcyclopentanecarbonyl)oxy-3-propanoylbenzoate

methyl 2-(1-phenylcyclopentanecarbonyl)oxy-3-propanoylbenzoate (PubChem CID 19972787) has the molecular formula C23H24O5 and a molecular weight of 380.44 g/mol. Its IUPAC name is methyl 2-(1-phenylcyclopentanecarbonyl)oxy-3-propanoylbenzoate.

Molecular Properties

Compound Namemethyl 2-(1-phenylcyclopentanecarbonyl)oxy-3-propanoylbenzoate
PubChem CID19972787
Molecular FormulaC23H24O5
Molecular Weight380.44 g/mol
Exact Mass380.16
IUPAC Namemethyl 2-(1-phenylcyclopentanecarbonyl)oxy-3-propanoylbenzoate
SMILESCCC(=O)c1cccc(C(=O)OC)c1OC(=O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C23H24O5/c1-3-19(24)17-12-9-13-18(21(25)27-2)20(17)28-22(26)23(14-7-8-15-23)16-10-5-4-6-11-16/h4-6,9-13H,3,7-8,14-15H2,1-2H3
InChIKeyPPGDMZWTTURIAP-UHFFFAOYSA-N
XLogP4.48
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze methyl 2-(1-phenylcyclopentanecarbonyl)oxy-3-propanoylbenzoate 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

(2-methoxycarbonyl-6-propanoylphenyl) naphthalene-1-carboxylate
CID 19972770
methyl 4-(1-phenylcyclobutanecarbonyl)oxybenzoate
CID 9244181
methyl 2-fluoro-3-propanoylbenzoate
CID 178189126
1-(1-phenylcyclopentyl)propan-1-one
CID 63080096
2-methylpropyl 1-phenylcyclohexane-1-carboxylate
CID 162502203
methyl 2-amino-3-propanoylbenzoate
CID 134648415
[2-(2,6-diethylanilino)-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
CID 8611306
butyl 1-phenylcyclobutane-1-carboxylate
CID 112724955
2-(diethylamino)ethyl 1-phenylcyclopentane-1-carboxylate;methyl acetate;hydrochloride
CID 67678429
N-ethyl-1-phenylcyclopentane-1-carboxamide
CID 778764
(2-methoxyphenyl)-(1-phenylcyclopentyl)methanone
CID 63410127
2-(dimethylamino)ethyl 1-phenylcyclopentane-1-carboxylate chloride
CID 53312763

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-phenylcyclopentanecarbonyl)oxy-3-propanoylbenzoate?
The IUPAC name of methyl 2-(1-phenylcyclopentanecarbonyl)oxy-3-propanoylbenzoate (CID 19972787) is methyl 2-(1-phenylcyclopentanecarbonyl)oxy-3-propanoylbenzoate.
What is the SMILES notation for methyl 2-(1-phenylcyclopentanecarbonyl)oxy-3-propanoylbenzoate?
The canonical SMILES for methyl 2-(1-phenylcyclopentanecarbonyl)oxy-3-propanoylbenzoate is CCC(=O)c1cccc(C(=O)OC)c1OC(=O)C1(c2ccccc2)CCCC1.
What is the InChIKey of methyl 2-(1-phenylcyclopentanecarbonyl)oxy-3-propanoylbenzoate?
The InChIKey is PPGDMZWTTURIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O5/c1-3-19(24)17-12-9-13-18(21(25)27-2)20(17)28-22(26)23(14-7-8-15-23)16-10-5-4-6-11-16/h4-6,9-13H,3,7-8,14-15H2,1-2H3.
What are the key properties of methyl 2-(1-phenylcyclopentanecarbonyl)oxy-3-propanoylbenzoate?
methyl 2-(1-phenylcyclopentanecarbonyl)oxy-3-propanoylbenzoate has a molecular weight of 380.44 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-phenylcyclopentanecarbonyl)oxy-3-propanoylbenzoate is sourced from PubChem (CID 19972787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).