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

C10H11ClO3 — CID 10889272

IUPAC3-(3-chloro-4-methoxyphenyl)propanoic acid
SMILESCOc1ccc(CCC(=O)O)cc1Cl
InChIInChI=1S/C10H11ClO3/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2,4,6H,3,5H2,1H3,(H,12,13)
InChIKeyMAYOFTZUJPQKET-UHFFFAOYSA-N
MW214.65 g/mol
LogP2.37
Rot. Bonds4

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

3-(3-chloro-4-methoxyphenyl)propanoic acid (PubChem CID 10889272) has the molecular formula C10H11ClO3 and a molecular weight of 214.65 g/mol. Its IUPAC name is 3-(3-chloro-4-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(3-chloro-4-methoxyphenyl)propanoic acid
PubChem CID10889272
Molecular FormulaC10H11ClO3
Molecular Weight214.65 g/mol
Exact Mass214.04
IUPAC Name3-(3-chloro-4-methoxyphenyl)propanoic acid
SMILESCOc1ccc(CCC(=O)O)cc1Cl
InChIInChI=1S/C10H11ClO3/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2,4,6H,3,5H2,1H3,(H,12,13)
InChIKeyMAYOFTZUJPQKET-UHFFFAOYSA-N
XLogP2.37
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Alclofenac
CID 30951
4-Methoxyphenylacetic Acid
CID 7690
3-Chloro-4-hydroxyphenylacetic acid
CID 118534
3-(p-Methoxyphenyl)propionic acid
CID 95750
4-(4-Methoxyphenyl)butyric acid
CID 78280
Benzofenac
CID 91676
Benzoic acid, 3,5-dichloro-4-methoxy-
CID 721135
Methyl 3-chloro-p-anisate
CID 123469
2-(2-(2-Chlorophenoxy)phenyl)acetic acid
CID 15581854
Methyl 3-chloro-4-hydroxyphenylacetate
CID 92625
3-Chloro-4-methoxycinnamic acid
CID 900853
4-(2,4-Dichlorophenoxy)benzenepropanoic acid
CID 20993091

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methoxyphenyl)propanoic acid?
The IUPAC name of 3-(3-chloro-4-methoxyphenyl)propanoic acid (CID 10889272) is 3-(3-chloro-4-methoxyphenyl)propanoic acid.
What is the SMILES notation for 3-(3-chloro-4-methoxyphenyl)propanoic acid?
The canonical SMILES for 3-(3-chloro-4-methoxyphenyl)propanoic acid is COc1ccc(CCC(=O)O)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methoxyphenyl)propanoic acid?
The InChIKey is MAYOFTZUJPQKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2,4,6H,3,5H2,1H3,(H,12,13).
What are the key properties of 3-(3-chloro-4-methoxyphenyl)propanoic acid?
3-(3-chloro-4-methoxyphenyl)propanoic acid has a molecular weight of 214.65 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methoxyphenyl)propanoic acid is sourced from PubChem (CID 10889272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).