methyl 3-(5-phenoxy-2-propoxyphenyl)propanoate

C19H22O4 — CID 82552125

IUPACmethyl 3-(5-phenoxy-2-propoxyphenyl)propanoate
SMILESCCCOc1ccc(Oc2ccccc2)cc1CCC(=O)OC
InChIInChI=1S/C19H22O4/c1-3-13-22-18-11-10-17(23-16-7-5-4-6-8-16)14-15(18)9-12-19(20)21-2/h4-8,10-11,14H,3,9,12-13H2,1-2H3
InChIKeyAXJZAIBWBUCDHA-UHFFFAOYSA-N
MW314.38 g/mol
LogP4.37
Rot. Bonds8

About methyl 3-(5-phenoxy-2-propoxyphenyl)propanoate

methyl 3-(5-phenoxy-2-propoxyphenyl)propanoate (PubChem CID 82552125) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is methyl 3-(5-phenoxy-2-propoxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-(5-phenoxy-2-propoxyphenyl)propanoate
PubChem CID82552125
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Namemethyl 3-(5-phenoxy-2-propoxyphenyl)propanoate
SMILESCCCOc1ccc(Oc2ccccc2)cc1CCC(=O)OC
InChIInChI=1S/C19H22O4/c1-3-13-22-18-11-10-17(23-16-7-5-4-6-8-16)14-15(18)9-12-19(20)21-2/h4-8,10-11,14H,3,9,12-13H2,1-2H3
InChIKeyAXJZAIBWBUCDHA-UHFFFAOYSA-N
XLogP4.37
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-(5-phenoxy-2-propoxyphenyl)propanoate 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

methyl 2-[3-[3-(4-phenoxy-2-propylphenoxy)propoxy]phenyl]acetate
CID 22459062
methyl 3-(2,4-dipropoxyphenyl)propanoate
CID 82551369
methyl 3-(5-chloro-2-phenoxyphenyl)propanoate
CID 70289797
methyl 2-[3-[4-[4-(4-methoxyphenoxy)-2-propylphenoxy]butoxy]phenyl]acetate
CID 22458910
methyl 2-hydroxy-2-[3-[3-(4-phenoxy-2-propylphenoxy)propoxy]phenyl]acetate
CID 22459050
methyl 3-(2-methyl-4-propoxyphenyl)propanoate
CID 82553676
methyl 3-(4-chloro-2,5-dipropoxyphenyl)propanoate
CID 82551620
(2-butanoyloxy-4-phenoxyphenyl) butanoate
CID 140675552
ethyl 2-hydroxy-2-[4-[3-(4-phenoxy-2-propylphenoxy)propoxy]phenyl]acetate
CID 22458966
2-(2-ethoxy-5-phenoxyphenyl)-N-methylethanamine
CID 82552147
propan-2-yl 5-phenoxy-2-propoxybenzoate
CID 82552129
(E)-4-oxo-4-(5-phenoxy-2-propoxyphenyl)but-2-enoic acid
CID 82267193

Frequently Asked Questions

What is the IUPAC name of methyl 3-(5-phenoxy-2-propoxyphenyl)propanoate?
The IUPAC name of methyl 3-(5-phenoxy-2-propoxyphenyl)propanoate (CID 82552125) is methyl 3-(5-phenoxy-2-propoxyphenyl)propanoate.
What is the SMILES notation for methyl 3-(5-phenoxy-2-propoxyphenyl)propanoate?
The canonical SMILES for methyl 3-(5-phenoxy-2-propoxyphenyl)propanoate is CCCOc1ccc(Oc2ccccc2)cc1CCC(=O)OC.
What is the InChIKey of methyl 3-(5-phenoxy-2-propoxyphenyl)propanoate?
The InChIKey is AXJZAIBWBUCDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O4/c1-3-13-22-18-11-10-17(23-16-7-5-4-6-8-16)14-15(18)9-12-19(20)21-2/h4-8,10-11,14H,3,9,12-13H2,1-2H3.
What are the key properties of methyl 3-(5-phenoxy-2-propoxyphenyl)propanoate?
methyl 3-(5-phenoxy-2-propoxyphenyl)propanoate has a molecular weight of 314.38 g/mol, XLogP of 4.37, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-phenoxy-2-propoxyphenyl)propanoate is sourced from PubChem (CID 82552125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).