4-(3,5-Dimethyl-4-methoxyphenyl)-4-oxobutyric acid

HCID 14032087CAS 103234-38-4

Basic information

Standard SMILES
COc1c(C)cc(C(=O)CCC(=O)O)cc1C
InChIKey
UXBGNNIUWXVYLX-UHFFFAOYSA-N
Molecular formula
C13H16O4
Average molar mass
236.26 g/mol
Monoisotopic mass
236.10485899

Names & identifiers

Preferred name
4-(3,5-Dimethyl-4-methoxyphenyl)-4-oxobutyric acid
IUPAC
4-(4-methoxy-3,5-dimethylphenyl)-4-oxobutanoic acid
English name
4-(3,5-Dimethyl-4-methoxyphenyl)-4-oxobutyric acid
Molecular formula
C13H16O4
Molecular weight
236.26

Names & synonyms

103234-38-44-(3,5-DIMETHYL-4-METHOXYPHENYL)-4-OXOBUTYRIC ACID4-(4-methoxy-3,5-dimethylphenyl)-4-oxobutanoic acidMFCD01320032SCHEMBL9861846DTXSID90554724UXBGNNIUWXVYLX-UHFFFAOYSA-NAKOS016022384F2071164-(4-methoxy-3,5-dimethyl-phenyl)-4-oxo-butanoic acid4-(3,5-DIMETHYL-4-METHOXYPHENYL)-4-OXOBUTYRICACID4-Methoxy-3,5-dimethyl-γ-oxobenzenebutanoic acid
Show more names
4-Methoxy-3,5-dimethyl-γ-oxobenzenebutanoic acidBenzenebutanoic acid, 4-methoxy-3,5-dimethyl-γ-oxo-

Database identifiers

CAS
103234-38-4
PubChem CID
14032087
DTXSID
DTXSID90554724

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
63.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
17

Chemistry & industry

Suppliers3 total

Related reactions

3 records

Linked notes

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