2,3-dihydro-1H-indene-5,6-diol

C9H10O2 — CID 13058959

IUPAC2,3-dihydro-1H-indene-5,6-diol
SMILESOc1cc2c(cc1O)CCC2
InChIInChI=1S/C9H10O2/c10-8-4-6-2-1-3-7(6)5-9(8)11/h4-5,10-11H,1-3H2
InChIKeyMYGHRGDHIRSOKL-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.59
Rot. Bonds

About 2,3-dihydro-1H-indene-5,6-diol

2,3-dihydro-1H-indene-5,6-diol (PubChem CID 13058959) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 2,3-dihydro-1H-indene-5,6-diol.

Molecular Properties

Compound Name2,3-dihydro-1H-indene-5,6-diol
PubChem CID13058959
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name2,3-dihydro-1H-indene-5,6-diol
SMILESOc1cc2c(cc1O)CCC2
InChIInChI=1S/C9H10O2/c10-8-4-6-2-1-3-7(6)5-9(8)11/h4-5,10-11H,1-3H2
InChIKeyMYGHRGDHIRSOKL-UHFFFAOYSA-N
XLogP1.59
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 58219551
6-(2-hydroxyethyl)-2,3-dihydro-1H-inden-5-ol
CID 117277759
2-bromo-1,3,4,5-tetrahydro-2-benzazepine-7,8-diol
CID 58602618
1,2,3,6,7,8,9,10-octahydrocyclohepta[e]inden-4-ol
CID 102314511
6-(1-aminocyclopentyl)-2,3-dihydro-1H-inden-5-ol
CID 117309765
4,5-dihydro-3H-1-benzazepine-7,8-diol
CID 87881763
3-(2-hydroxypropan-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 84674417
2,3,4,5-tetrahydro-1H-1-benzazepine-7,8-diol
CID 90841519
4-aminobicyclo[4.2.0]octa-1,3,5-trien-3-ol
CID 55290844
6-[2-(1-aminocyclopropyl)ethyl]-2,3-dihydro-1H-inden-5-ol
CID 105471605
2-(1-aminocyclopropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 84785545
6-(5-amino-1,2-oxazol-4-yl)-2,3-dihydro-1H-inden-5-ol
CID 117308042

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indene-5,6-diol?
The IUPAC name of 2,3-dihydro-1H-indene-5,6-diol (CID 13058959) is 2,3-dihydro-1H-indene-5,6-diol.
What is the SMILES notation for 2,3-dihydro-1H-indene-5,6-diol?
The canonical SMILES for 2,3-dihydro-1H-indene-5,6-diol is Oc1cc2c(cc1O)CCC2.
What is the InChIKey of 2,3-dihydro-1H-indene-5,6-diol?
The InChIKey is MYGHRGDHIRSOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c10-8-4-6-2-1-3-7(6)5-9(8)11/h4-5,10-11H,1-3H2.
What are the key properties of 2,3-dihydro-1H-indene-5,6-diol?
2,3-dihydro-1H-indene-5,6-diol has a molecular weight of 150.18 g/mol, XLogP of 1.59, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indene-5,6-diol is sourced from PubChem (CID 13058959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).