4-[2-methoxy-6-(methoxymethyl)phenyl]butanoic acid

C13H18O4 — CID 115006348

IUPAC4-[2-methoxy-6-(methoxymethyl)phenyl]butanoic acid
SMILESCOCc1cccc(OC)c1CCCC(=O)O
InChIInChI=1S/C13H18O4/c1-16-9-10-5-3-7-12(17-2)11(10)6-4-8-13(14)15/h3,5,7H,4,6,8-9H2,1-2H3,(H,14,15)
InChIKeyIWCLABRHISVHIU-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.25
Rot. Bonds7

About 4-[2-methoxy-6-(methoxymethyl)phenyl]butanoic acid

4-[2-methoxy-6-(methoxymethyl)phenyl]butanoic acid (PubChem CID 115006348) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is 4-[2-methoxy-6-(methoxymethyl)phenyl]butanoic acid.

Molecular Properties

Compound Name4-[2-methoxy-6-(methoxymethyl)phenyl]butanoic acid
PubChem CID115006348
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name4-[2-methoxy-6-(methoxymethyl)phenyl]butanoic acid
SMILESCOCc1cccc(OC)c1CCCC(=O)O
InChIInChI=1S/C13H18O4/c1-16-9-10-5-3-7-12(17-2)11(10)6-4-8-13(14)15/h3,5,7H,4,6,8-9H2,1-2H3,(H,14,15)
InChIKeyIWCLABRHISVHIU-UHFFFAOYSA-N
XLogP2.25
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methoxy-2-methylphenyl)butanoic acid
CID 18626500
4-(2-benzyl-3-methoxyphenyl)butanoic acid
CID 22324958
4-(2,3-dimethoxyphenyl)butanoic acid;hydrochloride
CID 139764480
3-[2-(fluoromethyl)-6-methoxyphenyl]propanoic acid
CID 117302932
3-(2-ethyl-3-methoxyphenyl)propanoic acid
CID 117297447
5-(2-methoxyphenyl)pentanoic acid
CID 25050817
3-[2-bromo-6-(methoxymethyl)phenyl]propanoic acid
CID 117435039
7-(2-methoxyphenyl)heptanoic acid
CID 59451681
8-(3-methoxy-2-methoxycarbonylphenyl)octanoic acid
CID 133052556
3-methoxy-2-(methoxymethyl)benzoic acid
CID 59838599
6-[2-(hydroxymethyl)-3-methoxyphenoxy]hexanoic acid
CID 150742680
ethyl 5-(2-methoxyphenyl)pentanoate;5-(2-methoxyphenyl)pentanoic acid
CID 161019500

Frequently Asked Questions

What is the IUPAC name of 4-[2-methoxy-6-(methoxymethyl)phenyl]butanoic acid?
The IUPAC name of 4-[2-methoxy-6-(methoxymethyl)phenyl]butanoic acid (CID 115006348) is 4-[2-methoxy-6-(methoxymethyl)phenyl]butanoic acid.
What is the SMILES notation for 4-[2-methoxy-6-(methoxymethyl)phenyl]butanoic acid?
The canonical SMILES for 4-[2-methoxy-6-(methoxymethyl)phenyl]butanoic acid is COCc1cccc(OC)c1CCCC(=O)O.
What is the InChIKey of 4-[2-methoxy-6-(methoxymethyl)phenyl]butanoic acid?
The InChIKey is IWCLABRHISVHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-16-9-10-5-3-7-12(17-2)11(10)6-4-8-13(14)15/h3,5,7H,4,6,8-9H2,1-2H3,(H,14,15).
What are the key properties of 4-[2-methoxy-6-(methoxymethyl)phenyl]butanoic acid?
4-[2-methoxy-6-(methoxymethyl)phenyl]butanoic acid has a molecular weight of 238.28 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methoxy-6-(methoxymethyl)phenyl]butanoic acid is sourced from PubChem (CID 115006348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).