3-(4-ethoxy-2-methoxyphenyl)propanoic acid

C12H16O4 — CID 97034664

IUPAC3-(4-ethoxy-2-methoxyphenyl)propanoic acid
SMILESCCOc1ccc(CCC(=O)O)c(OC)c1
InChIInChI=1S/C12H16O4/c1-3-16-10-6-4-9(5-7-12(13)14)11(8-10)15-2/h4,6,8H,3,5,7H2,1-2H3,(H,13,14)
InChIKeyYCCPKMKVMVUNME-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.11
Rot. Bonds6

About 3-(4-ethoxy-2-methoxyphenyl)propanoic acid

3-(4-ethoxy-2-methoxyphenyl)propanoic acid (PubChem CID 97034664) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-(4-ethoxy-2-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(4-ethoxy-2-methoxyphenyl)propanoic acid
PubChem CID97034664
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name3-(4-ethoxy-2-methoxyphenyl)propanoic acid
SMILESCCOc1ccc(CCC(=O)O)c(OC)c1
InChIInChI=1S/C12H16O4/c1-3-16-10-6-4-9(5-7-12(13)14)11(8-10)15-2/h4,6,8H,3,5,7H2,1-2H3,(H,13,14)
InChIKeyYCCPKMKVMVUNME-UHFFFAOYSA-N
XLogP2.11
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethoxycarbonyl-2-methoxyphenyl)propanoic acid
CID 134641089
3-(4-ethyl-2-methoxyphenyl)propanoic acid
CID 91883544
1-[3-(2,4-dimethoxyphenyl)propyl]-4-ethoxy-2-methoxybenzene
CID 139826457
3-[4-(diethylamino)-2-methoxyphenyl]propanoic acid
CID 82052960
3-(4-methoxy-2-phenylmethoxyphenyl)propanoic acid
CID 71348441
3-(2-methoxy-4-methylsulfanylphenyl)propanoic acid
CID 91881318
3-[4-methoxy-2-[2-(4-methylphenoxy)ethoxy]phenyl]propanoic acid
CID 22687548
3-[2-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]propanoic acid
CID 20988529
6-[4-(hydroxymethyl)-3-methoxyphenoxy]hexanoic acid
CID 67259239
3-(2-methoxy-4-nitrophenyl)propanoic acid
CID 163661297
methyl 3-(4-ethoxy-2-ethylphenyl)propanoate
CID 82552040
ethyl 2-[4-(2-bromoethyl)-3-methoxyphenoxy]acetate
CID 18620082

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxy-2-methoxyphenyl)propanoic acid?
The IUPAC name of 3-(4-ethoxy-2-methoxyphenyl)propanoic acid (CID 97034664) is 3-(4-ethoxy-2-methoxyphenyl)propanoic acid.
What is the SMILES notation for 3-(4-ethoxy-2-methoxyphenyl)propanoic acid?
The canonical SMILES for 3-(4-ethoxy-2-methoxyphenyl)propanoic acid is CCOc1ccc(CCC(=O)O)c(OC)c1.
What is the InChIKey of 3-(4-ethoxy-2-methoxyphenyl)propanoic acid?
The InChIKey is YCCPKMKVMVUNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-3-16-10-6-4-9(5-7-12(13)14)11(8-10)15-2/h4,6,8H,3,5,7H2,1-2H3,(H,13,14).
What are the key properties of 3-(4-ethoxy-2-methoxyphenyl)propanoic acid?
3-(4-ethoxy-2-methoxyphenyl)propanoic acid has a molecular weight of 224.26 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxy-2-methoxyphenyl)propanoic acid is sourced from PubChem (CID 97034664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).