2-[(2-methoxyphenyl)sulfinylmethyl]benzoic acid

C15H14O4S — CID 61290747

IUPAC2-[(2-methoxyphenyl)sulfinylmethyl]benzoic acid
SMILESCOc1ccccc1S(=O)Cc1ccccc1C(=O)O
InChIInChI=1S/C15H14O4S/c1-19-13-8-4-5-9-14(13)20(18)10-11-6-2-3-7-12(11)15(16)17/h2-9H,10H2,1H3,(H,16,17)
InChIKeyVTTZKDGWKVAWOR-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.70
Rot. Bonds5

About 2-[(2-methoxyphenyl)sulfinylmethyl]benzoic acid

2-[(2-methoxyphenyl)sulfinylmethyl]benzoic acid (PubChem CID 61290747) has the molecular formula C15H14O4S and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)sulfinylmethyl]benzoic acid.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)sulfinylmethyl]benzoic acid
PubChem CID61290747
Molecular FormulaC15H14O4S
Molecular Weight290.34 g/mol
Exact Mass290.06
IUPAC Name2-[(2-methoxyphenyl)sulfinylmethyl]benzoic acid
SMILESCOc1ccccc1S(=O)Cc1ccccc1C(=O)O
InChIInChI=1S/C15H14O4S/c1-19-13-8-4-5-9-14(13)20(18)10-11-6-2-3-7-12(11)15(16)17/h2-9H,10H2,1H3,(H,16,17)
InChIKeyVTTZKDGWKVAWOR-UHFFFAOYSA-N
XLogP2.70
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-4-[(2-methoxyphenyl)sulfinylmethyl]benzoic acid
CID 106700638
6-[(2-methoxyphenyl)sulfinylmethyl]pyridine-2-carboxylic acid
CID 106905204
1-(2-methoxyphenyl)sulfinyl-3-phenylpropan-2-one
CID 64635704
2-[2-(2-methoxyphenyl)acetyl]benzoic acid
CID 83743438
(2-carboxyphenyl)methanesulfinate
CID 57244136
5-(2-methoxyphenyl)sulfinylpentanoic acid
CID 61290365
[5-fluoro-2-[(2-methoxyphenyl)sulfinylmethyl]phenyl]methanamine
CID 81328070
2-(tert-butylsulfinylmethyl)benzoic acid
CID 61302749
2-[(3-methylphenyl)sulfinylmethyl]benzoic acid
CID 61303781
2-[(3-methoxyphenyl)methylsulfinyl]benzoic acid
CID 60982128
2-[2-(2-methoxyphenyl)phenyl]benzoic acid
CID 67896375
methyl 3-(2-methoxyphenyl)sulfinyl-2,2-dimethylpropanoate
CID 79620325

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)sulfinylmethyl]benzoic acid?
The IUPAC name of 2-[(2-methoxyphenyl)sulfinylmethyl]benzoic acid (CID 61290747) is 2-[(2-methoxyphenyl)sulfinylmethyl]benzoic acid.
What is the SMILES notation for 2-[(2-methoxyphenyl)sulfinylmethyl]benzoic acid?
The canonical SMILES for 2-[(2-methoxyphenyl)sulfinylmethyl]benzoic acid is COc1ccccc1S(=O)Cc1ccccc1C(=O)O.
What is the InChIKey of 2-[(2-methoxyphenyl)sulfinylmethyl]benzoic acid?
The InChIKey is VTTZKDGWKVAWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4S/c1-19-13-8-4-5-9-14(13)20(18)10-11-6-2-3-7-12(11)15(16)17/h2-9H,10H2,1H3,(H,16,17).
What are the key properties of 2-[(2-methoxyphenyl)sulfinylmethyl]benzoic acid?
2-[(2-methoxyphenyl)sulfinylmethyl]benzoic acid has a molecular weight of 290.34 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)sulfinylmethyl]benzoic acid is sourced from PubChem (CID 61290747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).