(3-hydroxy-2,3-dihydro-1H-inden-5-yl)methanesulfinic acid

C10H12O3S — CID 174627369

IUPAC(3-hydroxy-2,3-dihydro-1H-inden-5-yl)methanesulfinic acid
SMILESO=S(O)Cc1ccc2c(c1)C(O)CC2
InChIInChI=1S/C10H12O3S/c11-10-4-3-8-2-1-7(5-9(8)10)6-14(12)13/h1-2,5,10-11H,3-4,6H2,(H,12,13)
InChIKeyOGAXZCLRXNZRQU-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.39
Rot. Bonds2

About (3-hydroxy-2,3-dihydro-1H-inden-5-yl)methanesulfinic acid

(3-hydroxy-2,3-dihydro-1H-inden-5-yl)methanesulfinic acid (PubChem CID 174627369) has the molecular formula C10H12O3S and a molecular weight of 212.27 g/mol. Its IUPAC name is (3-hydroxy-2,3-dihydro-1H-inden-5-yl)methanesulfinic acid.

Molecular Properties

Compound Name(3-hydroxy-2,3-dihydro-1H-inden-5-yl)methanesulfinic acid
PubChem CID174627369
Molecular FormulaC10H12O3S
Molecular Weight212.27 g/mol
Exact Mass212.05
IUPAC Name(3-hydroxy-2,3-dihydro-1H-inden-5-yl)methanesulfinic acid
SMILESO=S(O)Cc1ccc2c(c1)C(O)CC2
InChIInChI=1S/C10H12O3S/c11-10-4-3-8-2-1-7(5-9(8)10)6-14(12)13/h1-2,5,10-11H,3-4,6H2,(H,12,13)
InChIKeyOGAXZCLRXNZRQU-UHFFFAOYSA-N
XLogP1.39
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(2-hydroxyethyl)-2,3-dihydro-1H-inden-1-ol;6-propyl-2,3-dihydro-1H-inden-1-ol
CID 160826780
6-chloro-2,3-dihydro-1H-inden-1-ol
CID 42614780
(3S)-3-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid
CID 155904489
3-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 62736189
(1S)-7-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79014448
(1S)-7-butyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79014495
(3R)-3-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile
CID 131140735
5-(aminomethyl)-2,3-dihydro-1H-inden-1-ol
CID 53439054
methyl (3R)-3-hydroxy-2,3-dihydro-1H-indene-5-carboxylate
CID 155905494
(1S)-6-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-inden-1-ol
CID 166351230
[(3R)-3-hydroxy-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate
CID 68829372
tris(2,3-dihydro-1H-inden-1-ol);ethane
CID 19770523

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-2,3-dihydro-1H-inden-5-yl)methanesulfinic acid?
The IUPAC name of (3-hydroxy-2,3-dihydro-1H-inden-5-yl)methanesulfinic acid (CID 174627369) is (3-hydroxy-2,3-dihydro-1H-inden-5-yl)methanesulfinic acid.
What is the SMILES notation for (3-hydroxy-2,3-dihydro-1H-inden-5-yl)methanesulfinic acid?
The canonical SMILES for (3-hydroxy-2,3-dihydro-1H-inden-5-yl)methanesulfinic acid is O=S(O)Cc1ccc2c(c1)C(O)CC2.
What is the InChIKey of (3-hydroxy-2,3-dihydro-1H-inden-5-yl)methanesulfinic acid?
The InChIKey is OGAXZCLRXNZRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3S/c11-10-4-3-8-2-1-7(5-9(8)10)6-14(12)13/h1-2,5,10-11H,3-4,6H2,(H,12,13).
What are the key properties of (3-hydroxy-2,3-dihydro-1H-inden-5-yl)methanesulfinic acid?
(3-hydroxy-2,3-dihydro-1H-inden-5-yl)methanesulfinic acid has a molecular weight of 212.27 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-2,3-dihydro-1H-inden-5-yl)methanesulfinic acid is sourced from PubChem (CID 174627369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).