[4-[2-(pentanoyloxymethyl)phenyl]phenyl]methyl pentanoate

C24H30O4 — CID 139921100

IUPAC[4-[2-(pentanoyloxymethyl)phenyl]phenyl]methyl pentanoate
SMILESCCCCC(=O)OCc1ccc(-c2ccccc2COC(=O)CCCC)cc1
InChIInChI=1S/C24H30O4/c1-3-5-11-23(25)27-17-19-13-15-20(16-14-19)22-10-8-7-9-21(22)18-28-24(26)12-6-4-2/h7-10,13-16H,3-6,11-12,17-18H2,1-2H3
InChIKeyBZHQAXCDFSAXFV-UHFFFAOYSA-N
MW382.50 g/mol
LogP5.82
Rot. Bonds11

About [4-[2-(pentanoyloxymethyl)phenyl]phenyl]methyl pentanoate

[4-[2-(pentanoyloxymethyl)phenyl]phenyl]methyl pentanoate (PubChem CID 139921100) has the molecular formula C24H30O4 and a molecular weight of 382.50 g/mol. Its IUPAC name is [4-[2-(pentanoyloxymethyl)phenyl]phenyl]methyl pentanoate.

Molecular Properties

Compound Name[4-[2-(pentanoyloxymethyl)phenyl]phenyl]methyl pentanoate
PubChem CID139921100
Molecular FormulaC24H30O4
Molecular Weight382.50 g/mol
Exact Mass382.21
IUPAC Name[4-[2-(pentanoyloxymethyl)phenyl]phenyl]methyl pentanoate
SMILESCCCCC(=O)OCc1ccc(-c2ccccc2COC(=O)CCCC)cc1
InChIInChI=1S/C24H30O4/c1-3-5-11-23(25)27-17-19-13-15-20(16-14-19)22-10-8-7-9-21(22)18-28-24(26)12-6-4-2/h7-10,13-16H,3-6,11-12,17-18H2,1-2H3
InChIKeyBZHQAXCDFSAXFV-UHFFFAOYSA-N
XLogP5.82
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.50
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[2-(pentanoyloxymethyl)phenyl]phenyl]methyl pentanoate 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-(pentanoyloxymethyl)phenyl]methyl pentanoate
CID 122421006
[2-(heptanoyloxymethyl)phenyl]methyl heptanoate
CID 122421013
benzyl heptadecanoate
CID 522569
[2-[2-[4-[heptyl(hexyl)amino]butanoyloxymethyl]phenyl]phenyl]methyl 4-[heptyl(hexyl)amino]butanoate
CID 139954126
[2-[2-[4-[hexyl(octyl)amino]butanoyloxymethyl]phenyl]phenyl]methyl 4-[hexyl(octyl)amino]butanoate
CID 139955644
[2-[2-[3-(dipentylamino)propanoyloxymethyl]phenyl]phenyl]methyl 3-(dipentylamino)propanoate
CID 139955378
bis[(2-ethylphenyl)methyl] hexanedioate
CID 69430210
diethyl 2-[(2-phenylphenyl)methyl]hexanedioate
CID 15913968
[4-(iodoamino)phenyl]methyl pentanoate
CID 162430884
benzyl decanoate;N,N-dimethylmethanamine
CID 175539518
[4-[4-[4-[hexyl(octyl)amino]butanoyloxymethyl]phenyl]phenyl]methyl 4-[hexyl(octyl)amino]butanoate
CID 139955722
[4-[4-[4-(dioctylamino)butanoyloxymethyl]phenyl]phenyl]methyl 4-(dioctylamino)butanoate
CID 139955324

Frequently Asked Questions

What is the IUPAC name of [4-[2-(pentanoyloxymethyl)phenyl]phenyl]methyl pentanoate?
The IUPAC name of [4-[2-(pentanoyloxymethyl)phenyl]phenyl]methyl pentanoate (CID 139921100) is [4-[2-(pentanoyloxymethyl)phenyl]phenyl]methyl pentanoate.
What is the SMILES notation for [4-[2-(pentanoyloxymethyl)phenyl]phenyl]methyl pentanoate?
The canonical SMILES for [4-[2-(pentanoyloxymethyl)phenyl]phenyl]methyl pentanoate is CCCCC(=O)OCc1ccc(-c2ccccc2COC(=O)CCCC)cc1.
What is the InChIKey of [4-[2-(pentanoyloxymethyl)phenyl]phenyl]methyl pentanoate?
The InChIKey is BZHQAXCDFSAXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O4/c1-3-5-11-23(25)27-17-19-13-15-20(16-14-19)22-10-8-7-9-21(22)18-28-24(26)12-6-4-2/h7-10,13-16H,3-6,11-12,17-18H2,1-2H3.
What are the key properties of [4-[2-(pentanoyloxymethyl)phenyl]phenyl]methyl pentanoate?
[4-[2-(pentanoyloxymethyl)phenyl]phenyl]methyl pentanoate has a molecular weight of 382.50 g/mol, XLogP of 5.82, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(pentanoyloxymethyl)phenyl]phenyl]methyl pentanoate is sourced from PubChem (CID 139921100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).