1-(4-phenylmethoxyphenyl)ethyl pentanoate

C20H24O3 — CID 67493531

IUPAC1-(4-phenylmethoxyphenyl)ethyl pentanoate
SMILESCCCCC(=O)OC(C)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H24O3/c1-3-4-10-20(21)23-16(2)18-11-13-19(14-12-18)22-15-17-8-6-5-7-9-17/h5-9,11-14,16H,3-4,10,15H2,1-2H3
InChIKeyJSJUCSLOBOJJNX-UHFFFAOYSA-N
MW312.41 g/mol
LogP5.06
Rot. Bonds8

About 1-(4-phenylmethoxyphenyl)ethyl pentanoate

1-(4-phenylmethoxyphenyl)ethyl pentanoate (PubChem CID 67493531) has the molecular formula C20H24O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-(4-phenylmethoxyphenyl)ethyl pentanoate.

Molecular Properties

Compound Name1-(4-phenylmethoxyphenyl)ethyl pentanoate
PubChem CID67493531
Molecular FormulaC20H24O3
Molecular Weight312.41 g/mol
Exact Mass312.17
IUPAC Name1-(4-phenylmethoxyphenyl)ethyl pentanoate
SMILESCCCCC(=O)OC(C)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H24O3/c1-3-4-10-20(21)23-16(2)18-11-13-19(14-12-18)22-15-17-8-6-5-7-9-17/h5-9,11-14,16H,3-4,10,15H2,1-2H3
InChIKeyJSJUCSLOBOJJNX-UHFFFAOYSA-N
XLogP5.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.41
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-phenylmethoxyphenyl)ethyl 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

1-(4-phenylmethoxyphenyl)ethyl pentacosanoate
CID 23032602
1-[4-[2-(4-butoxyphenyl)phenyl]phenyl]ethyl pentanoate
CID 139693520
benzyl 4-(1-hexanoyloxyethyl)benzoate
CID 14597166
1-[4-(4-nonoxyphenyl)phenyl]ethyl pentanoate
CID 139693790
1-phenylethyl 4-phenylmethoxyoctanoate
CID 174608864
1-[4-[2-(4-butoxyphenyl)phenyl]phenyl]ethyl tetradecanoate
CID 139694248
1-[4-[2-(4-ethoxyphenyl)phenyl]phenyl]ethyl tetradecanoate
CID 139693656
octan-3-yl 2-(4-phenylmethoxyphenyl)propanoate
CID 150364577
1-[4-(4-butoxyphenyl)phenyl]ethyl tridecanoate
CID 139693676
1-[4-(4-butoxyphenyl)phenyl]ethyl dodecanoate
CID 139694035
benzyl 4-[4-(1-hexanoyloxyethyl)phenyl]benzoate
CID 14597172
1-naphthalen-2-ylethyl pentanoate
CID 46886522

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylmethoxyphenyl)ethyl pentanoate?
The IUPAC name of 1-(4-phenylmethoxyphenyl)ethyl pentanoate (CID 67493531) is 1-(4-phenylmethoxyphenyl)ethyl pentanoate.
What is the SMILES notation for 1-(4-phenylmethoxyphenyl)ethyl pentanoate?
The canonical SMILES for 1-(4-phenylmethoxyphenyl)ethyl pentanoate is CCCCC(=O)OC(C)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 1-(4-phenylmethoxyphenyl)ethyl pentanoate?
The InChIKey is JSJUCSLOBOJJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O3/c1-3-4-10-20(21)23-16(2)18-11-13-19(14-12-18)22-15-17-8-6-5-7-9-17/h5-9,11-14,16H,3-4,10,15H2,1-2H3.
What are the key properties of 1-(4-phenylmethoxyphenyl)ethyl pentanoate?
1-(4-phenylmethoxyphenyl)ethyl pentanoate has a molecular weight of 312.41 g/mol, XLogP of 5.06, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylmethoxyphenyl)ethyl pentanoate is sourced from PubChem (CID 67493531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).