4-(3-methoxyphenyl)sulfinylbutanoic acid

C11H14O4S — CID 61304341

IUPAC4-(3-methoxyphenyl)sulfinylbutanoic acid
SMILESCOc1cccc(S(=O)CCCC(=O)O)c1
InChIInChI=1S/C11H14O4S/c1-15-9-4-2-5-10(8-9)16(14)7-3-6-11(12)13/h2,4-5,8H,3,6-7H2,1H3,(H,12,13)
InChIKeyKYEMNMYVYHZBIW-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.67
Rot. Bonds6

About 4-(3-methoxyphenyl)sulfinylbutanoic acid

4-(3-methoxyphenyl)sulfinylbutanoic acid (PubChem CID 61304341) has the molecular formula C11H14O4S and a molecular weight of 242.30 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)sulfinylbutanoic acid.

Molecular Properties

Compound Name4-(3-methoxyphenyl)sulfinylbutanoic acid
PubChem CID61304341
Molecular FormulaC11H14O4S
Molecular Weight242.30 g/mol
Exact Mass242.06
IUPAC Name4-(3-methoxyphenyl)sulfinylbutanoic acid
SMILESCOc1cccc(S(=O)CCCC(=O)O)c1
InChIInChI=1S/C11H14O4S/c1-15-9-4-2-5-10(8-9)16(14)7-3-6-11(12)13/h2,4-5,8H,3,6-7H2,1H3,(H,12,13)
InChIKeyKYEMNMYVYHZBIW-UHFFFAOYSA-N
XLogP1.67
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methoxyphenyl)sulfinyl-N-methylpropan-1-amine
CID 64659138
5-(3-methoxyphenyl)sulfinylpentanenitrile
CID 63791056
N-[3-(3-methoxyphenyl)sulfinylpropyl]-2-methylpropan-2-amine
CID 64659145
4-naphthalen-2-ylsulfinylbutanoic acid
CID 61302772
hydroxylamine;7-[(S)-(4-methoxyphenyl)sulfinyl]heptanoic acid
CID 70154736
6-(3-methoxyphenyl)sulfinylhexan-3-amine
CID 106807932
1-(3-methoxyphenyl)sulfinylbutan-2-one
CID 64640851
N-[3-(3-methoxyphenyl)sulfinylpropyl]-2-methylpropan-1-amine
CID 64659343
2-acetamido-3-(3-methoxyphenyl)sulfinylpropanoic acid
CID 64583525
3-[2-(3-methoxyphenyl)sulfinylethoxy]aniline
CID 61302237
4-[(3-methoxyphenyl)sulfinylmethyl]-5-methylthiophene-2-carboxylic acid
CID 80727831
5-[(3-methoxyphenyl)sulfinylmethyl]-3-methylfuran-2-carboxylic acid
CID 61301771

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)sulfinylbutanoic acid?
The IUPAC name of 4-(3-methoxyphenyl)sulfinylbutanoic acid (CID 61304341) is 4-(3-methoxyphenyl)sulfinylbutanoic acid.
What is the SMILES notation for 4-(3-methoxyphenyl)sulfinylbutanoic acid?
The canonical SMILES for 4-(3-methoxyphenyl)sulfinylbutanoic acid is COc1cccc(S(=O)CCCC(=O)O)c1.
What is the InChIKey of 4-(3-methoxyphenyl)sulfinylbutanoic acid?
The InChIKey is KYEMNMYVYHZBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4S/c1-15-9-4-2-5-10(8-9)16(14)7-3-6-11(12)13/h2,4-5,8H,3,6-7H2,1H3,(H,12,13).
What are the key properties of 4-(3-methoxyphenyl)sulfinylbutanoic acid?
4-(3-methoxyphenyl)sulfinylbutanoic acid has a molecular weight of 242.30 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)sulfinylbutanoic acid is sourced from PubChem (CID 61304341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).