3-Methylsulfonyl-4-(3-pyridyloxy)-6-methylbenzoic acid

HCID 19360331
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1cc(Oc2cccnc2)c(S(C)(=O)=O)cc1C(=O)O
InChIKey
VCYOVKOEDNOLHO-UHFFFAOYSA-N
Molecular formula
C14H13NO5S
Average molar mass
307.32 g/mol

Names & identifiers

Preferred name
3-Methylsulfonyl-4-(3-pyridyloxy)-6-methylbenzoic acid
IUPAC
2-methyl-5-methylsulfonyl-4-pyridin-3-yloxybenzoic acid

Names & synonyms

SCHEMBL8185312VCYOVKOEDNOLHO-UHFFFAOYSA-N3-methylsulfonyl-4-(3-pyridyloxy)-6-methylbenzoic acid

Database identifiers

PubChem CID
19360331

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
102 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
21

Related reactions

2 records
New reaction record

Linked notes

Loading…