3-[3-chloro-4-(methoxymethyl)phenyl]propanoic acid

C11H13ClO3 — CID 117329480

IUPAC3-[3-chloro-4-(methoxymethyl)phenyl]propanoic acid
SMILESCOCc1ccc(CCC(=O)O)cc1Cl
InChIInChI=1S/C11H13ClO3/c1-15-7-9-4-2-8(6-10(9)12)3-5-11(13)14/h2,4,6H,3,5,7H2,1H3,(H,13,14)
InChIKeyRWMYHGWXNIKMFX-UHFFFAOYSA-N
MW228.67 g/mol
LogP2.50
Rot. Bonds5

About 3-[3-chloro-4-(methoxymethyl)phenyl]propanoic acid

3-[3-chloro-4-(methoxymethyl)phenyl]propanoic acid (PubChem CID 117329480) has the molecular formula C11H13ClO3 and a molecular weight of 228.67 g/mol. Its IUPAC name is 3-[3-chloro-4-(methoxymethyl)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[3-chloro-4-(methoxymethyl)phenyl]propanoic acid
PubChem CID117329480
Molecular FormulaC11H13ClO3
Molecular Weight228.67 g/mol
Exact Mass228.06
IUPAC Name3-[3-chloro-4-(methoxymethyl)phenyl]propanoic acid
SMILESCOCc1ccc(CCC(=O)O)cc1Cl
InChIInChI=1S/C11H13ClO3/c1-15-7-9-4-2-8(6-10(9)12)3-5-11(13)14/h2,4,6H,3,5,7H2,1H3,(H,13,14)
InChIKeyRWMYHGWXNIKMFX-UHFFFAOYSA-N
XLogP2.50
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.67
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-chloro-4-(methoxymethyl)phenyl]-2,2-dimethylpropanoic acid
CID 117395219
3-(3-chloro-4-ethoxyphenyl)propanoic acid
CID 82052851
4-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]butanoic acid
CID 117406092
3-[3,4-bis(2-carboxyethyl)phenyl]propanoic acid
CID 11119944
4-(4-chloro-3-methoxyphenyl)butanoic acid
CID 83710715
2-[1-[3-chloro-4-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 117389821
3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propanoic acid
CID 82051730
4-[2-fluoro-4-(methoxymethyl)phenyl]butanoic acid
CID 117325374
3-[4-[3-(3-chloro-4-methoxyphenyl)propanoylamino]phenyl]propanoic acid
CID 119252525
3-[3-[(2-chlorophenyl)methoxy]phenyl]propanoic acid
CID 83952241
3-[4-[2-[2-(methoxymethyl)phenyl]ethynyl]phenyl]propanoic acid
CID 71562638
4-[2-fluoro-5-(methoxymethyl)phenyl]butanoic acid
CID 117325377

Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-4-(methoxymethyl)phenyl]propanoic acid?
The IUPAC name of 3-[3-chloro-4-(methoxymethyl)phenyl]propanoic acid (CID 117329480) is 3-[3-chloro-4-(methoxymethyl)phenyl]propanoic acid.
What is the SMILES notation for 3-[3-chloro-4-(methoxymethyl)phenyl]propanoic acid?
The canonical SMILES for 3-[3-chloro-4-(methoxymethyl)phenyl]propanoic acid is COCc1ccc(CCC(=O)O)cc1Cl.
What is the InChIKey of 3-[3-chloro-4-(methoxymethyl)phenyl]propanoic acid?
The InChIKey is RWMYHGWXNIKMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO3/c1-15-7-9-4-2-8(6-10(9)12)3-5-11(13)14/h2,4,6H,3,5,7H2,1H3,(H,13,14).
What are the key properties of 3-[3-chloro-4-(methoxymethyl)phenyl]propanoic acid?
3-[3-chloro-4-(methoxymethyl)phenyl]propanoic acid has a molecular weight of 228.67 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-4-(methoxymethyl)phenyl]propanoic acid is sourced from PubChem (CID 117329480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).