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

C19H22O4 — CID 82160468

IUPAC3-(2-methoxy-3-propoxyphenyl)-2-phenylpropanoic acid
SMILESCCCOc1cccc(CC(C(=O)O)c2ccccc2)c1OC
InChIInChI=1S/C19H22O4/c1-3-12-23-17-11-7-10-15(18(17)22-2)13-16(19(20)21)14-8-5-4-6-9-14/h4-11,16H,3,12-13H2,1-2H3,(H,20,21)
InChIKeyPKRWLGVEBFLLEF-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.89
Rot. Bonds8

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

3-(2-methoxy-3-propoxyphenyl)-2-phenylpropanoic acid (PubChem CID 82160468) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is 3-(2-methoxy-3-propoxyphenyl)-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-(2-methoxy-3-propoxyphenyl)-2-phenylpropanoic acid
PubChem CID82160468
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name3-(2-methoxy-3-propoxyphenyl)-2-phenylpropanoic acid
SMILESCCCOc1cccc(CC(C(=O)O)c2ccccc2)c1OC
InChIInChI=1S/C19H22O4/c1-3-12-23-17-11-7-10-15(18(17)22-2)13-16(19(20)21)14-8-5-4-6-9-14/h4-11,16H,3,12-13H2,1-2H3,(H,20,21)
InChIKeyPKRWLGVEBFLLEF-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

3-(2-ethoxy-3-methoxyphenyl)-2-phenylpropanoic acid
CID 20984694
2-(3,4-dimethoxyphenyl)-3-(3-methoxy-2-propoxyphenyl)propanoic acid
CID 20985305
2-(4-aminophenyl)-3-(2-propoxyphenyl)propanoic acid
CID 83954423
3-(4-methoxy-3-propoxyphenyl)-2-phenylpropanoic acid
CID 22684522
ethane;1-ethyl-2-methoxy-3-propoxybenzene
CID 143988437
2-(3-fluoro-4-methylphenyl)-3-(3-methoxy-2-propoxyphenyl)propanoic acid
CID 112720099
3-(2-butoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid
CID 83954503
3-(2-butoxyphenyl)-2-(3-hydroxyphenyl)propanoic acid
CID 83954502
3-(2-ethoxy-3-methoxyphenyl)-2-(4-ethylphenyl)propanoic acid
CID 83951759
3-(2-butoxyphenyl)-2-(4-ethylphenyl)propanoic acid
CID 83954499
3-(2-butoxyphenyl)-2-(2-methoxyphenyl)propanoic acid
CID 83954492
3-(2-hexoxy-4-methoxyphenyl)-2-phenylpropanoic acid
CID 22685773

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-3-propoxyphenyl)-2-phenylpropanoic acid?
The IUPAC name of 3-(2-methoxy-3-propoxyphenyl)-2-phenylpropanoic acid (CID 82160468) is 3-(2-methoxy-3-propoxyphenyl)-2-phenylpropanoic acid.
What is the SMILES notation for 3-(2-methoxy-3-propoxyphenyl)-2-phenylpropanoic acid?
The canonical SMILES for 3-(2-methoxy-3-propoxyphenyl)-2-phenylpropanoic acid is CCCOc1cccc(CC(C(=O)O)c2ccccc2)c1OC.
What is the InChIKey of 3-(2-methoxy-3-propoxyphenyl)-2-phenylpropanoic acid?
The InChIKey is PKRWLGVEBFLLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O4/c1-3-12-23-17-11-7-10-15(18(17)22-2)13-16(19(20)21)14-8-5-4-6-9-14/h4-11,16H,3,12-13H2,1-2H3,(H,20,21).
What are the key properties of 3-(2-methoxy-3-propoxyphenyl)-2-phenylpropanoic acid?
3-(2-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-(2-methoxy-3-propoxyphenyl)-2-phenylpropanoic acid is sourced from PubChem (CID 82160468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).