2-(2,3-dihydro-1H-inden-2-yloxy)-2-oxoethanesulfonic acid

C11H12O5S — CID 121308546

IUPAC2-(2,3-dihydro-1H-inden-2-yloxy)-2-oxoethanesulfonic acid
SMILESO=C(CS(=O)(=O)O)OC1Cc2ccccc2C1
InChIInChI=1S/C11H12O5S/c12-11(7-17(13,14)15)16-10-5-8-3-1-2-4-9(8)6-10/h1-4,10H,5-7H2,(H,13,14,15)
InChIKeyODKYGUBGPRATQT-UHFFFAOYSA-N
MW256.28 g/mol
LogP0.58
Rot. Bonds3

About 2-(2,3-dihydro-1H-inden-2-yloxy)-2-oxoethanesulfonic acid

2-(2,3-dihydro-1H-inden-2-yloxy)-2-oxoethanesulfonic acid (PubChem CID 121308546) has the molecular formula C11H12O5S and a molecular weight of 256.28 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-2-yloxy)-2-oxoethanesulfonic acid.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-2-yloxy)-2-oxoethanesulfonic acid
PubChem CID121308546
Molecular FormulaC11H12O5S
Molecular Weight256.28 g/mol
Exact Mass256.04
IUPAC Name2-(2,3-dihydro-1H-inden-2-yloxy)-2-oxoethanesulfonic acid
SMILESO=C(CS(=O)(=O)O)OC1Cc2ccccc2C1
InChIInChI=1S/C11H12O5S/c12-11(7-17(13,14)15)16-10-5-8-3-1-2-4-9(8)6-10/h1-4,10H,5-7H2,(H,13,14,15)
InChIKeyODKYGUBGPRATQT-UHFFFAOYSA-N
XLogP0.58
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-oxo-2-phenoxyethanesulfonic acid
CID 23329753
2,3-dihydro-1H-inden-2-yl prop-2-enoate;rhodium
CID 163826036
2,3-dihydro-1H-inden-2-yl (E)-2-ethylbut-2-enoate
CID 174350360
(E)-3-(2,3-dihydro-1H-inden-2-yloxy)pent-3-en-2-one
CID 145479052
1,2,3,4-tetrahydronaphthalen-2-yl 2-(2-oxoazocan-1-yl)acetate
CID 86890641
2,3-dihydro-1H-inden-2-yl (1R)-2-phenylcyclobutane-1-carboxylate
CID 145368316
methyl 2-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfonyl]acetate
CID 64675959
(Z)-but-2-ene;2,3-dihydro-1H-inden-2-yl 4-oxopentanoate;3-methylthietane
CID 143324852
[(8Z)-6-acetyloxy-5,6,7,10,11,12-hexahydrobenzo[10]annulen-11-yl] acetate
CID 11449504
[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl] methanesulfonate
CID 124600614
2-(2,3-dihydro-1H-inden-2-yloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonic acid
CID 129070339
2,3-dihydro-1H-inden-2-yloxycarbonyl(hexyl)carbamic acid
CID 21259489

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-2-yloxy)-2-oxoethanesulfonic acid?
The IUPAC name of 2-(2,3-dihydro-1H-inden-2-yloxy)-2-oxoethanesulfonic acid (CID 121308546) is 2-(2,3-dihydro-1H-inden-2-yloxy)-2-oxoethanesulfonic acid.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-2-yloxy)-2-oxoethanesulfonic acid?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-2-yloxy)-2-oxoethanesulfonic acid is O=C(CS(=O)(=O)O)OC1Cc2ccccc2C1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-2-yloxy)-2-oxoethanesulfonic acid?
The InChIKey is ODKYGUBGPRATQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O5S/c12-11(7-17(13,14)15)16-10-5-8-3-1-2-4-9(8)6-10/h1-4,10H,5-7H2,(H,13,14,15).
What are the key properties of 2-(2,3-dihydro-1H-inden-2-yloxy)-2-oxoethanesulfonic acid?
2-(2,3-dihydro-1H-inden-2-yloxy)-2-oxoethanesulfonic acid has a molecular weight of 256.28 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-2-yloxy)-2-oxoethanesulfonic acid is sourced from PubChem (CID 121308546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).