3-(3-chloro-4-methoxyphenyl)-2-(3-methylphenoxy)propanoic acid

C17H17ClO4 — CID 133241237

IUPAC3-(3-chloro-4-methoxyphenyl)-2-(3-methylphenoxy)propanoic acid
SMILESCOc1ccc(CC(Oc2cccc(C)c2)C(=O)O)cc1Cl
InChIInChI=1S/C17H17ClO4/c1-11-4-3-5-13(8-11)22-16(17(19)20)10-12-6-7-15(21-2)14(18)9-12/h3-9,16H,10H2,1-2H3,(H,19,20)
InChIKeyOPDHMILQTNAYSZ-UHFFFAOYSA-N
MW320.77 g/mol
LogP3.73
Rot. Bonds6

About 3-(3-chloro-4-methoxyphenyl)-2-(3-methylphenoxy)propanoic acid

3-(3-chloro-4-methoxyphenyl)-2-(3-methylphenoxy)propanoic acid (PubChem CID 133241237) has the molecular formula C17H17ClO4 and a molecular weight of 320.77 g/mol. Its IUPAC name is 3-(3-chloro-4-methoxyphenyl)-2-(3-methylphenoxy)propanoic acid.

Molecular Properties

Compound Name3-(3-chloro-4-methoxyphenyl)-2-(3-methylphenoxy)propanoic acid
PubChem CID133241237
Molecular FormulaC17H17ClO4
Molecular Weight320.77 g/mol
Exact Mass320.08
IUPAC Name3-(3-chloro-4-methoxyphenyl)-2-(3-methylphenoxy)propanoic acid
SMILESCOc1ccc(CC(Oc2cccc(C)c2)C(=O)O)cc1Cl
InChIInChI=1S/C17H17ClO4/c1-11-4-3-5-13(8-11)22-16(17(19)20)10-12-6-7-15(21-2)14(18)9-12/h3-9,16H,10H2,1-2H3,(H,19,20)
InChIKeyOPDHMILQTNAYSZ-UHFFFAOYSA-N
XLogP3.73
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.77
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chloro-4-methylphenyl)-2-(3-methylphenoxy)propanoic acid
CID 133245536
(2S)-3-(3-chloro-4-methoxyphenyl)-2-(4-chloro-3-methylphenoxy)propanoic acid
CID 100547805
3-(3-chloro-4-methoxyphenyl)-2-(2-chlorophenoxy)propanoic acid
CID 133241239
(2S)-2-(4-tert-butylphenoxy)-3-(3-chloro-4-methoxyphenyl)propanoic acid
CID 100547766
3-(3-chloro-4-methoxyphenyl)-2-naphthalen-1-yloxypropanoic acid
CID 133241251
(2R)-3-(3,5-dichlorophenyl)-2-(3-methylphenoxy)propanoic acid
CID 100540560
2-(3-methoxyphenoxy)-3-(3-methylphenyl)propanoic acid
CID 133148719
(2S)-3-(4-iodophenyl)-2-(3-methylphenoxy)propanoic acid
CID 100535647
3-(3-chloro-4-methylphenyl)-2-phenoxypropanoic acid
CID 133245547
(2R)-2-(4-chloro-3-methylphenoxy)-3-(3-methylphenyl)propanoic acid
CID 100525071
2-[(3-chloro-4-methoxyphenyl)methyl]propanedioic acid
CID 82121039
(2R)-2-(3,5-dimethylphenoxy)-3-(3-methoxyphenyl)propanoic acid
CID 100542546

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methoxyphenyl)-2-(3-methylphenoxy)propanoic acid?
The IUPAC name of 3-(3-chloro-4-methoxyphenyl)-2-(3-methylphenoxy)propanoic acid (CID 133241237) is 3-(3-chloro-4-methoxyphenyl)-2-(3-methylphenoxy)propanoic acid.
What is the SMILES notation for 3-(3-chloro-4-methoxyphenyl)-2-(3-methylphenoxy)propanoic acid?
The canonical SMILES for 3-(3-chloro-4-methoxyphenyl)-2-(3-methylphenoxy)propanoic acid is COc1ccc(CC(Oc2cccc(C)c2)C(=O)O)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methoxyphenyl)-2-(3-methylphenoxy)propanoic acid?
The InChIKey is OPDHMILQTNAYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO4/c1-11-4-3-5-13(8-11)22-16(17(19)20)10-12-6-7-15(21-2)14(18)9-12/h3-9,16H,10H2,1-2H3,(H,19,20).
What are the key properties of 3-(3-chloro-4-methoxyphenyl)-2-(3-methylphenoxy)propanoic acid?
3-(3-chloro-4-methoxyphenyl)-2-(3-methylphenoxy)propanoic acid has a molecular weight of 320.77 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methoxyphenyl)-2-(3-methylphenoxy)propanoic acid is sourced from PubChem (CID 133241237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).