4-(((4-Methoxyphenyl)sulfonyl)methyl)benzoic acid
Basic information
- CAS
110046-37-2- Standard SMILES
COc1ccc(S(=O)(=O)Cc2ccc(C(=O)O)cc2)cc1- InChIKey
HKNUEQMMFNDGOF-UHFFFAOYSA-N- Molecular formula
- C15H14O5S
- Average molar mass
- 306.3 g/mol
- Monoisotopic mass
- 306.05619472
Names & identifiers
- Preferred name
- 4-(((4-Methoxyphenyl)sulfonyl)methyl)benzoic acid
- IUPAC
- 4-[(4-methoxyphenyl)sulfonylmethyl]benzoic acid
Names & synonyms
4-(((4-Methoxyphenyl)sulfonyl)methyl)benzoic acidNSC635197110046-37-2Benzoic acid, 4-(((4-methoxyphenyl)sulfonyl)methyl)-4-[[(4-Methoxyphenyl)sulfonyl]methyl]benzoic acid4-[(4-methoxyphenyl)sulfonylmethyl]benzoic acidDTXSID40911464AKOS009113038NSC-6351974-[(4-Methoxybenzene-1-sulfonyl)methyl]benzoic acid
Database identifiers
- CAS
110046-37-2- PubChem CID
- 366571
- DTXSID
DTXSID40911464
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 437
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Compound notes
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