4-(2-Methoxy-5-methylphenyl)butanoic acid

HCID 282452
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Basic information

CAS
58404-64-1
Standard SMILES
COc1ccc(C)cc1CCCC(=O)O
InChIKey
QWXBQKDUQJHCEZ-UHFFFAOYSA-N
Molecular formula
C12H16O3
Average molar mass
208.25 g/mol
Monoisotopic mass
208.10994437

Names & identifiers

Preferred name
4-(2-Methoxy-5-methylphenyl)butanoic acid
IUPAC
4-(2-methoxy-5-methylphenyl)butanoic acid

Names & synonyms

4-(2-methoxy-5-methylphenyl)butanoic acid58404-64-1MFCD06810338NSC135930SCHEMBL10836064DTXSID40300319QWXBQKDUQJHCEZ-UHFFFAOYSA-NAKOS009817024NSC-135930NS-022964-(2-Methoxy-5-methylphenyl)-butyric acid4-(2-methoxy-5-methyl-phenyl)butanoic acid
Show more names
CS-0280303EN300-1867371

Database identifiers

CAS
58404-64-1
PubChem CID
282452
DTXSID
DTXSID40300319

Properties

Computed structural propertiesFilling in

XLogP
2.4
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
15

Related reactions

3 records
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Compound notes

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