2-(5-chloro-2-methoxyphenyl)-3-(3-ethoxyphenyl)propanoic acid

C18H19ClO4 — CID 83954789

IUPAC2-(5-chloro-2-methoxyphenyl)-3-(3-ethoxyphenyl)propanoic acid
SMILESCCOc1cccc(CC(C(=O)O)c2cc(Cl)ccc2OC)c1
InChIInChI=1S/C18H19ClO4/c1-3-23-14-6-4-5-12(9-14)10-16(18(20)21)15-11-13(19)7-8-17(15)22-2/h4-9,11,16H,3,10H2,1-2H3,(H,20,21)
InChIKeyFXHPYMCIBFVQJJ-UHFFFAOYSA-N
MW334.80 g/mol
LogP4.16
Rot. Bonds7

About 2-(5-chloro-2-methoxyphenyl)-3-(3-ethoxyphenyl)propanoic acid

2-(5-chloro-2-methoxyphenyl)-3-(3-ethoxyphenyl)propanoic acid (PubChem CID 83954789) has the molecular formula C18H19ClO4 and a molecular weight of 334.80 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-3-(3-ethoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-3-(3-ethoxyphenyl)propanoic acid
PubChem CID83954789
Molecular FormulaC18H19ClO4
Molecular Weight334.80 g/mol
Exact Mass334.10
IUPAC Name2-(5-chloro-2-methoxyphenyl)-3-(3-ethoxyphenyl)propanoic acid
SMILESCCOc1cccc(CC(C(=O)O)c2cc(Cl)ccc2OC)c1
InChIInChI=1S/C18H19ClO4/c1-3-23-14-6-4-5-12(9-14)10-16(18(20)21)15-11-13(19)7-8-17(15)22-2/h4-9,11,16H,3,10H2,1-2H3,(H,20,21)
InChIKeyFXHPYMCIBFVQJJ-UHFFFAOYSA-N
XLogP4.16
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2-methoxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)propanoic acid
CID 83950557
2-(4-ethoxy-2-methylphenyl)-3-(3-methoxyphenyl)propanoic acid
CID 83955405
3-(4-tert-butylphenyl)-2-(5-chloro-2-methoxyphenyl)propanoic acid
CID 112721022
(2S)-2-(2,3-dimethoxyphenyl)-3-(3-methoxyphenyl)propanoic acid
CID 99907324
(2S)-2-(4-chlorophenyl)-3-(3-methoxyphenyl)propanoic acid
CID 42051145
3-(4-ethoxyphenyl)-2-(2-methoxyphenyl)propanoic acid
CID 82094741
2-(5-chloro-2-methoxyphenyl)-4-methylpentanoic acid
CID 82089067
2-(3-ethoxyphenyl)-3-(3-propoxyphenyl)propanoic acid
CID 83951475
3-(3-chlorophenyl)-2-(4-ethoxy-3-methylphenyl)propanoic acid
CID 83955946
3-(3-ethoxyphenyl)-2-methylpropanoic acid;zinc
CID 175118835
3-(3-fluorophenyl)-2-(2-methoxy-5-methylphenyl)propanoic acid
CID 82140408
3-(4-ethoxy-3-methoxyphenyl)-2-(2-methylphenyl)propanoic acid
CID 165353920

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-3-(3-ethoxyphenyl)propanoic acid?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-3-(3-ethoxyphenyl)propanoic acid (CID 83954789) is 2-(5-chloro-2-methoxyphenyl)-3-(3-ethoxyphenyl)propanoic acid.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-3-(3-ethoxyphenyl)propanoic acid?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-3-(3-ethoxyphenyl)propanoic acid is CCOc1cccc(CC(C(=O)O)c2cc(Cl)ccc2OC)c1.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-3-(3-ethoxyphenyl)propanoic acid?
The InChIKey is FXHPYMCIBFVQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClO4/c1-3-23-14-6-4-5-12(9-14)10-16(18(20)21)15-11-13(19)7-8-17(15)22-2/h4-9,11,16H,3,10H2,1-2H3,(H,20,21).
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-3-(3-ethoxyphenyl)propanoic acid?
2-(5-chloro-2-methoxyphenyl)-3-(3-ethoxyphenyl)propanoic acid has a molecular weight of 334.80 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-3-(3-ethoxyphenyl)propanoic acid is sourced from PubChem (CID 83954789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).