[2-(3-phenylpropanoyloxy)phenyl] cyclopropanecarboxylate

C19H18O4 — CID 91695251

IUPAC[2-(3-phenylpropanoyloxy)phenyl] cyclopropanecarboxylate
SMILESO=C(CCc1ccccc1)Oc1ccccc1OC(=O)C1CC1
InChIInChI=1S/C19H18O4/c20-18(13-10-14-6-2-1-3-7-14)22-16-8-4-5-9-17(16)23-19(21)15-11-12-15/h1-9,15H,10-13H2
InChIKeyAREBSEYLGJFVCF-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.54
Rot. Bonds6

About [2-(3-phenylpropanoyloxy)phenyl] cyclopropanecarboxylate

[2-(3-phenylpropanoyloxy)phenyl] cyclopropanecarboxylate (PubChem CID 91695251) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is [2-(3-phenylpropanoyloxy)phenyl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[2-(3-phenylpropanoyloxy)phenyl] cyclopropanecarboxylate
PubChem CID91695251
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Name[2-(3-phenylpropanoyloxy)phenyl] cyclopropanecarboxylate
SMILESO=C(CCc1ccccc1)Oc1ccccc1OC(=O)C1CC1
InChIInChI=1S/C19H18O4/c20-18(13-10-14-6-2-1-3-7-14)22-16-8-4-5-9-17(16)23-19(21)15-11-12-15/h1-9,15H,10-13H2
InChIKeyAREBSEYLGJFVCF-UHFFFAOYSA-N
XLogP3.54
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2-(3-phenylpropanoyloxy)phenyl] cyclopropanecarboxylate 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 [2-(3-phenylpropanoyloxy)phenyl] cyclopropanecarboxylate?
The IUPAC name of [2-(3-phenylpropanoyloxy)phenyl] cyclopropanecarboxylate (CID 91695251) is [2-(3-phenylpropanoyloxy)phenyl] cyclopropanecarboxylate.
What is the SMILES notation for [2-(3-phenylpropanoyloxy)phenyl] cyclopropanecarboxylate?
The canonical SMILES for [2-(3-phenylpropanoyloxy)phenyl] cyclopropanecarboxylate is O=C(CCc1ccccc1)Oc1ccccc1OC(=O)C1CC1.
What is the InChIKey of [2-(3-phenylpropanoyloxy)phenyl] cyclopropanecarboxylate?
The InChIKey is AREBSEYLGJFVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O4/c20-18(13-10-14-6-2-1-3-7-14)22-16-8-4-5-9-17(16)23-19(21)15-11-12-15/h1-9,15H,10-13H2.
What are the key properties of [2-(3-phenylpropanoyloxy)phenyl] cyclopropanecarboxylate?
[2-(3-phenylpropanoyloxy)phenyl] cyclopropanecarboxylate has a molecular weight of 310.35 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-phenylpropanoyloxy)phenyl] cyclopropanecarboxylate is sourced from PubChem (CID 91695251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).