3-Methoxy-4-(2-methylphenyl)benzoic acid

HCID 18001076

Basic information

CAS
175153-24-9
Standard SMILES
COc1cc(C(=O)O)ccc1-c1ccccc1C
InChIKey
SYXIYNJPTBGTNT-UHFFFAOYSA-N
Molecular formula
C15H14O3
Average molar mass
242.27 g/mol
Monoisotopic mass
242.0942943

Names & identifiers

Preferred name
3-Methoxy-4-(2-methylphenyl)benzoic acid
IUPAC
3-methoxy-4-(2-methylphenyl)benzoic acid
English name
[1,1'-Biphenyl]-4-carboxylic acid, 2-methoxy-2'-methyl-
Molecular formula
C15H14O3
Molecular weight
242.27

Names & synonyms

175153-24-93-METHOXY-4-(2-METHYLPHENYL)BENZOIC ACIDMFCD18318916[1,1'-Biphenyl]-4-carboxylic acid, 2-methoxy-2'-methyl-2-METHOXY-2'-METHYL-[1,1'-BIPHENYL]-4-CARBOXYLIC ACIDSCHEMBL2773418DTXSID60592390SYXIYNJPTBGTNT-UHFFFAOYSA-N3-methoxy-4-(o-tolyl)benzoic acid2-methoxy-2'-methylbiphenyl-4-carboxylic acidH765372-Methoxy-2'-methyl-biphenyl-4-carboxylic acid
Show more names
3-Methoxy-4-(2-methylphenyl)benzoic acid, 95%2-methoxy-2'-methyl-1,1'-biphenyl-4-carboxylic acid2-Methoxy-2'-methyl[1,1'-biphenyl]-4-carboxylic acid

Database identifiers

CAS
175153-24-9
PubChem CID
18001076
DTXSID
DTXSID60592390

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
18

Physicochemical properties

Boiling point
365.9 · 365.9±30.0 °C(Predicted)
Density
1.167 · 1.167±0.06 g/cm3(Predicted)
pka
4.08 · 4.08±0.10(Predicted)

Chemistry & industry

Suppliers3 total

安徽合诺生物科技有限公司0555-2761852
安徽合诺生物科技有限公司18455579438
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]

Related reactions

13 records

Compound notes

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