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

C16H15ClO4 — CID 133240973

IUPAC2-(4-chlorophenoxy)-3-(2-methoxyphenyl)propanoic acid
SMILESCOc1ccccc1CC(Oc1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C16H15ClO4/c1-20-14-5-3-2-4-11(14)10-15(16(18)19)21-13-8-6-12(17)7-9-13/h2-9,15H,10H2,1H3,(H,18,19)
InChIKeyHYPIYUNJJCQFAQ-UHFFFAOYSA-N
MW306.75 g/mol
LogP3.42
Rot. Bonds6

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

2-(4-chlorophenoxy)-3-(2-methoxyphenyl)propanoic acid (PubChem CID 133240973) has the molecular formula C16H15ClO4 and a molecular weight of 306.75 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-3-(2-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-3-(2-methoxyphenyl)propanoic acid
PubChem CID133240973
Molecular FormulaC16H15ClO4
Molecular Weight306.75 g/mol
Exact Mass306.07
IUPAC Name2-(4-chlorophenoxy)-3-(2-methoxyphenyl)propanoic acid
SMILESCOc1ccccc1CC(Oc1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C16H15ClO4/c1-20-14-5-3-2-4-11(14)10-15(16(18)19)21-13-8-6-12(17)7-9-13/h2-9,15H,10H2,1H3,(H,18,19)
InChIKeyHYPIYUNJJCQFAQ-UHFFFAOYSA-N
XLogP3.42
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenoxy)propanoic acid
CID 100547124
(2S)-3-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenoxy)propanoic acid
CID 100547133
(2R)-2-(4-chlorophenoxy)-3-(2,4-dimethoxyphenyl)propanoic acid
CID 100545345
2-(2-methoxyphenoxy)-3-(2-methoxyphenyl)propanoic acid
CID 133240977
2-(4-chlorophenoxy)-3-(2-fluorophenyl)propanoic acid
CID 57395675
(2S)-3-(5-chloro-2-phenoxyphenyl)-2-(4-methoxyphenoxy)propanoic acid
CID 100550282
3-(5-chloro-2-methoxyphenyl)-2-(2-methoxyphenoxy)propanoic acid
CID 133241219
2-(4-chlorophenoxy)-3-(5-chloro-2-phenoxyphenyl)propanoic acid
CID 133241354
(2S)-2-(4-chlorophenoxy)-3-(2,3-dimethylphenyl)propanoic acid
CID 100526025
(2R)-2-(2-methoxyphenoxy)-3-(2-phenoxyphenyl)propanoic acid
CID 100551442
(2R)-3-(5-chloro-2-phenoxyphenyl)-2-(2-methoxyphenoxy)propanoic acid
CID 100550251
(2S)-2-(4-chlorophenoxy)-3-(2-phenylsulfanylphenyl)propanoic acid
CID 100549506

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-3-(2-methoxyphenyl)propanoic acid?
The IUPAC name of 2-(4-chlorophenoxy)-3-(2-methoxyphenyl)propanoic acid (CID 133240973) is 2-(4-chlorophenoxy)-3-(2-methoxyphenyl)propanoic acid.
What is the SMILES notation for 2-(4-chlorophenoxy)-3-(2-methoxyphenyl)propanoic acid?
The canonical SMILES for 2-(4-chlorophenoxy)-3-(2-methoxyphenyl)propanoic acid is COc1ccccc1CC(Oc1ccc(Cl)cc1)C(=O)O.
What is the InChIKey of 2-(4-chlorophenoxy)-3-(2-methoxyphenyl)propanoic acid?
The InChIKey is HYPIYUNJJCQFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO4/c1-20-14-5-3-2-4-11(14)10-15(16(18)19)21-13-8-6-12(17)7-9-13/h2-9,15H,10H2,1H3,(H,18,19).
What are the key properties of 2-(4-chlorophenoxy)-3-(2-methoxyphenyl)propanoic acid?
2-(4-chlorophenoxy)-3-(2-methoxyphenyl)propanoic acid has a molecular weight of 306.75 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-3-(2-methoxyphenyl)propanoic acid is sourced from PubChem (CID 133240973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).