[4-(3-phenylpropanoyloxy)cyclohexyl] 3-phenylpropanoate

C24H28O4 — CID 134843861

IUPAC[4-(3-phenylpropanoyloxy)cyclohexyl] 3-phenylpropanoate
SMILESO=C(CCc1ccccc1)OC1CCC(OC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C24H28O4/c25-23(17-11-19-7-3-1-4-8-19)27-21-13-15-22(16-14-21)28-24(26)18-12-20-9-5-2-6-10-20/h1-10,21-22H,11-18H2
InChIKeyBNIRGPNWDCYFEK-UHFFFAOYSA-N
MW380.48 g/mol
LogP4.65
Rot. Bonds8

About [4-(3-phenylpropanoyloxy)cyclohexyl] 3-phenylpropanoate

[4-(3-phenylpropanoyloxy)cyclohexyl] 3-phenylpropanoate (PubChem CID 134843861) has the molecular formula C24H28O4 and a molecular weight of 380.48 g/mol. Its IUPAC name is [4-(3-phenylpropanoyloxy)cyclohexyl] 3-phenylpropanoate.

Molecular Properties

Compound Name[4-(3-phenylpropanoyloxy)cyclohexyl] 3-phenylpropanoate
PubChem CID134843861
Molecular FormulaC24H28O4
Molecular Weight380.48 g/mol
Exact Mass380.20
IUPAC Name[4-(3-phenylpropanoyloxy)cyclohexyl] 3-phenylpropanoate
SMILESO=C(CCc1ccccc1)OC1CCC(OC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C24H28O4/c25-23(17-11-19-7-3-1-4-8-19)27-21-13-15-22(16-14-21)28-24(26)18-12-20-9-5-2-6-10-20/h1-10,21-22H,11-18H2
InChIKeyBNIRGPNWDCYFEK-UHFFFAOYSA-N
XLogP4.65
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.48
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(3-phenylpropanoyloxy)cyclohexyl] 3-phenylpropanoate 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 [4-(3-phenylpropanoyloxy)cyclohexyl] 3-phenylpropanoate?
The IUPAC name of [4-(3-phenylpropanoyloxy)cyclohexyl] 3-phenylpropanoate (CID 134843861) is [4-(3-phenylpropanoyloxy)cyclohexyl] 3-phenylpropanoate.
What is the SMILES notation for [4-(3-phenylpropanoyloxy)cyclohexyl] 3-phenylpropanoate?
The canonical SMILES for [4-(3-phenylpropanoyloxy)cyclohexyl] 3-phenylpropanoate is O=C(CCc1ccccc1)OC1CCC(OC(=O)CCc2ccccc2)CC1.
What is the InChIKey of [4-(3-phenylpropanoyloxy)cyclohexyl] 3-phenylpropanoate?
The InChIKey is BNIRGPNWDCYFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O4/c25-23(17-11-19-7-3-1-4-8-19)27-21-13-15-22(16-14-21)28-24(26)18-12-20-9-5-2-6-10-20/h1-10,21-22H,11-18H2.
What are the key properties of [4-(3-phenylpropanoyloxy)cyclohexyl] 3-phenylpropanoate?
[4-(3-phenylpropanoyloxy)cyclohexyl] 3-phenylpropanoate has a molecular weight of 380.48 g/mol, XLogP of 4.65, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-phenylpropanoyloxy)cyclohexyl] 3-phenylpropanoate is sourced from PubChem (CID 134843861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).