3-(4-methoxy-3-propoxyphenyl)-2-phenylpropanoic acid

C19H22O4 — CID 22684522

IUPAC3-(4-methoxy-3-propoxyphenyl)-2-phenylpropanoic acid
SMILESCCCOc1cc(CC(C(=O)O)c2ccccc2)ccc1OC
InChIInChI=1S/C19H22O4/c1-3-11-23-18-13-14(9-10-17(18)22-2)12-16(19(20)21)15-7-5-4-6-8-15/h4-10,13,16H,3,11-12H2,1-2H3,(H,20,21)
InChIKeyUKRYZURJMCEUAC-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.89
Rot. Bonds8

About 3-(4-methoxy-3-propoxyphenyl)-2-phenylpropanoic acid

3-(4-methoxy-3-propoxyphenyl)-2-phenylpropanoic acid (PubChem CID 22684522) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is 3-(4-methoxy-3-propoxyphenyl)-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-(4-methoxy-3-propoxyphenyl)-2-phenylpropanoic acid
PubChem CID22684522
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name3-(4-methoxy-3-propoxyphenyl)-2-phenylpropanoic acid
SMILESCCCOc1cc(CC(C(=O)O)c2ccccc2)ccc1OC
InChIInChI=1S/C19H22O4/c1-3-11-23-18-13-14(9-10-17(18)22-2)12-16(19(20)21)15-7-5-4-6-8-15/h4-10,13,16H,3,11-12H2,1-2H3,(H,20,21)
InChIKeyUKRYZURJMCEUAC-UHFFFAOYSA-N
XLogP3.89
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminophenyl)-3-(4-methoxy-3-propoxyphenyl)propanoic acid
CID 83953929
2-(4-fluorophenyl)-3-(4-methoxy-3-propoxyphenyl)propanoic acid
CID 82160495
3-[3-[3-(dimethylamino)propoxy]-4-methoxyphenyl]-2-phenylpropanoic acid
CID 22686314
3-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-2-phenylpropanoic acid
CID 22682030
3-(3-ethoxy-4-methoxyphenyl)-2-(4-ethylphenyl)propanoic acid
CID 83951268
3-(3,4-dimethoxyphenyl)-2-(4-ethoxyphenyl)propanoic acid
CID 82140602
3-(4-methoxy-3-pentoxyphenyl)-2-thiophen-2-ylpropanoic acid
CID 20986503
3-(3,4-dimethoxyphenyl)-2-(3-hydroxyphenyl)propanoic acid
CID 83955509
2-(4-bromophenyl)-3-(3,4-dimethoxyphenyl)propanoic acid
CID 131887523
3-(3,4-dimethoxyphenyl)-2-phenylpropanehydrazide
CID 12722073
3-[4-methoxy-3-(2-phenoxyethoxy)phenyl]-2-thiophen-2-ylpropanoic acid
CID 20990244
3-(2-methoxy-3-propoxyphenyl)-2-phenylpropanoic acid
CID 82160468

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-3-propoxyphenyl)-2-phenylpropanoic acid?
The IUPAC name of 3-(4-methoxy-3-propoxyphenyl)-2-phenylpropanoic acid (CID 22684522) is 3-(4-methoxy-3-propoxyphenyl)-2-phenylpropanoic acid.
What is the SMILES notation for 3-(4-methoxy-3-propoxyphenyl)-2-phenylpropanoic acid?
The canonical SMILES for 3-(4-methoxy-3-propoxyphenyl)-2-phenylpropanoic acid is CCCOc1cc(CC(C(=O)O)c2ccccc2)ccc1OC.
What is the InChIKey of 3-(4-methoxy-3-propoxyphenyl)-2-phenylpropanoic acid?
The InChIKey is UKRYZURJMCEUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O4/c1-3-11-23-18-13-14(9-10-17(18)22-2)12-16(19(20)21)15-7-5-4-6-8-15/h4-10,13,16H,3,11-12H2,1-2H3,(H,20,21).
What are the key properties of 3-(4-methoxy-3-propoxyphenyl)-2-phenylpropanoic acid?
3-(4-methoxy-3-propoxyphenyl)-2-phenylpropanoic acid has a molecular weight of 314.38 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-3-propoxyphenyl)-2-phenylpropanoic acid is sourced from PubChem (CID 22684522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).