4-[(4-propylphenoxy)methyl]benzoate

C17H17O3- — CID 2336592

IUPAC4-[(4-propylphenoxy)methyl]benzoate
SMILESCCCc1ccc(OCc2ccc(C(=O)[O-])cc2)cc1
InChIInChI=1S/C17H18O3/c1-2-3-13-6-10-16(11-7-13)20-12-14-4-8-15(9-5-14)17(18)19/h4-11H,2-3,12H2,1H3,(H,18,19)/p-1
InChIKeyJGCWCLCLHUPLGM-UHFFFAOYSA-M
MW269.32 g/mol
LogP2.58
Rot. Bonds6

About 4-[(4-propylphenoxy)methyl]benzoate

4-[(4-propylphenoxy)methyl]benzoate (PubChem CID 2336592) has the molecular formula C17H17O3- and a molecular weight of 269.32 g/mol. Its IUPAC name is 4-[(4-propylphenoxy)methyl]benzoate.

Molecular Properties

Compound Name4-[(4-propylphenoxy)methyl]benzoate
PubChem CID2336592
Molecular FormulaC17H17O3-
Molecular Weight269.32 g/mol
Exact Mass269.12
IUPAC Name4-[(4-propylphenoxy)methyl]benzoate
SMILESCCCc1ccc(OCc2ccc(C(=O)[O-])cc2)cc1
InChIInChI=1S/C17H18O3/c1-2-3-13-6-10-16(11-7-13)20-12-14-4-8-15(9-5-14)17(18)19/h4-11H,2-3,12H2,1H3,(H,18,19)/p-1
InChIKeyJGCWCLCLHUPLGM-UHFFFAOYSA-M
XLogP2.58
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[(4-propylphenoxy)methyl]benzoate 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

cadmium(2+);bis(4-propylbenzoate)
CID 101299923
4-[(4-propan-2-ylphenyl)methoxy]benzoate
CID 7101920
4-[(3,4-dimethylphenoxy)methyl]benzoate
CID 4053070
1-[4-[[4-[(4-acetylphenoxy)methyl]phenyl]methoxy]phenyl]ethanone
CID 10619405
1-[4-[(4-butoxyphenoxy)methyl]phenyl]ethanone
CID 2216486
CID 101297352
CID 101297352
4-[(4-ethylphenoxy)methyl]benzoic acid
CID 585022
(4-bromopyrazol-1-yl)-[4-[(4-propylphenoxy)methyl]phenyl]methanone
CID 1002710
5-[(4-carboxylatophenoxy)methyl]furan-2-carboxylate
CID 5147336
4-[(4-propoxyphenoxy)methyl]benzamide
CID 24605968
1-[4-[(4-methoxyphenyl)methoxy]phenyl]butan-1-one
CID 134129695
4-fluoro-3-[(4-propylphenoxy)methyl]benzoic acid
CID 63530139

Frequently Asked Questions

What is the IUPAC name of 4-[(4-propylphenoxy)methyl]benzoate?
The IUPAC name of 4-[(4-propylphenoxy)methyl]benzoate (CID 2336592) is 4-[(4-propylphenoxy)methyl]benzoate.
What is the SMILES notation for 4-[(4-propylphenoxy)methyl]benzoate?
The canonical SMILES for 4-[(4-propylphenoxy)methyl]benzoate is CCCc1ccc(OCc2ccc(C(=O)[O-])cc2)cc1.
What is the InChIKey of 4-[(4-propylphenoxy)methyl]benzoate?
The InChIKey is JGCWCLCLHUPLGM-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H18O3/c1-2-3-13-6-10-16(11-7-13)20-12-14-4-8-15(9-5-14)17(18)19/h4-11H,2-3,12H2,1H3,(H,18,19)/p-1.
What are the key properties of 4-[(4-propylphenoxy)methyl]benzoate?
4-[(4-propylphenoxy)methyl]benzoate has a molecular weight of 269.32 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-propylphenoxy)methyl]benzoate is sourced from PubChem (CID 2336592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).