3-(3-chlorophenyl)-2-(4-ethoxy-3-methylphenyl)propanoic acid

C18H19ClO3 — CID 83955946

IUPAC3-(3-chlorophenyl)-2-(4-ethoxy-3-methylphenyl)propanoic acid
SMILESCCOc1ccc(C(Cc2cccc(Cl)c2)C(=O)O)cc1C
InChIInChI=1S/C18H19ClO3/c1-3-22-17-8-7-14(9-12(17)2)16(18(20)21)11-13-5-4-6-15(19)10-13/h4-10,16H,3,11H2,1-2H3,(H,20,21)
InChIKeyKWRKSOWSQSGUDN-UHFFFAOYSA-N
MW318.80 g/mol
LogP4.46
Rot. Bonds6

About 3-(3-chlorophenyl)-2-(4-ethoxy-3-methylphenyl)propanoic acid

3-(3-chlorophenyl)-2-(4-ethoxy-3-methylphenyl)propanoic acid (PubChem CID 83955946) has the molecular formula C18H19ClO3 and a molecular weight of 318.80 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-2-(4-ethoxy-3-methylphenyl)propanoic acid.

Molecular Properties

Compound Name3-(3-chlorophenyl)-2-(4-ethoxy-3-methylphenyl)propanoic acid
PubChem CID83955946
Molecular FormulaC18H19ClO3
Molecular Weight318.80 g/mol
Exact Mass318.10
IUPAC Name3-(3-chlorophenyl)-2-(4-ethoxy-3-methylphenyl)propanoic acid
SMILESCCOc1ccc(C(Cc2cccc(Cl)c2)C(=O)O)cc1C
InChIInChI=1S/C18H19ClO3/c1-3-22-17-8-7-14(9-12(17)2)16(18(20)21)11-13-5-4-6-15(19)10-13/h4-10,16H,3,11H2,1-2H3,(H,20,21)
InChIKeyKWRKSOWSQSGUDN-UHFFFAOYSA-N
XLogP4.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-ethoxy-4-hydroxyphenyl)-2-(4-ethoxy-3-methylphenyl)propanoic acid
CID 83954170
2-chloro-2-(4-ethoxy-3-methylphenyl)acetic acid
CID 82288310
2-(4-ethoxy-3-methylphenyl)-3-(2-fluorophenyl)propanoic acid
CID 83950993
2-(4-ethoxy-3-methylphenyl)-4-methylpentanoic acid
CID 112518760
3-(4-ethoxyphenyl)-2-(3-methyl-4-propoxyphenyl)propanoic acid
CID 83950412
3-(3,4-dichlorophenyl)-2-(4-methoxy-3-methylphenyl)propanoic acid
CID 83955360
2-(4-methoxy-3-methylphenyl)-3-(3-propan-2-yloxyphenyl)propanoic acid
CID 83952179
2-(5-chloro-2-methoxyphenyl)-3-(3-ethoxyphenyl)propanoic acid
CID 83954789
3-(3-chlorophenyl)-2-(3-methyl-2-pyridinyl)propanoic acid
CID 104573313
3-(3-chlorophenyl)-2-(5-methylpyrimidin-2-yl)propanoic acid
CID 104573378
2-(1,3-benzodioxol-5-yl)-3-(3-chlorophenyl)propanoic acid
CID 82139562
3-(3-chlorophenyl)-2-ethoxypropanoic acid
CID 84726077

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-2-(4-ethoxy-3-methylphenyl)propanoic acid?
The IUPAC name of 3-(3-chlorophenyl)-2-(4-ethoxy-3-methylphenyl)propanoic acid (CID 83955946) is 3-(3-chlorophenyl)-2-(4-ethoxy-3-methylphenyl)propanoic acid.
What is the SMILES notation for 3-(3-chlorophenyl)-2-(4-ethoxy-3-methylphenyl)propanoic acid?
The canonical SMILES for 3-(3-chlorophenyl)-2-(4-ethoxy-3-methylphenyl)propanoic acid is CCOc1ccc(C(Cc2cccc(Cl)c2)C(=O)O)cc1C.
What is the InChIKey of 3-(3-chlorophenyl)-2-(4-ethoxy-3-methylphenyl)propanoic acid?
The InChIKey is KWRKSOWSQSGUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClO3/c1-3-22-17-8-7-14(9-12(17)2)16(18(20)21)11-13-5-4-6-15(19)10-13/h4-10,16H,3,11H2,1-2H3,(H,20,21).
What are the key properties of 3-(3-chlorophenyl)-2-(4-ethoxy-3-methylphenyl)propanoic acid?
3-(3-chlorophenyl)-2-(4-ethoxy-3-methylphenyl)propanoic acid has a molecular weight of 318.80 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-2-(4-ethoxy-3-methylphenyl)propanoic acid is sourced from PubChem (CID 83955946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).