3H-indene-1,2-diol

C9H8O2 — CID 69341367

IUPAC3H-indene-1,2-diol
SMILESOC1=C(O)c2ccccc2C1
InChIInChI=1S/C9H8O2/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4,10-11H,5H2
InChIKeyHVPCYOGIBAFLNZ-UHFFFAOYSA-N
MW148.16 g/mol
LogP2.03
Rot. Bonds

About 3H-indene-1,2-diol

3H-indene-1,2-diol (PubChem CID 69341367) has the molecular formula C9H8O2 and a molecular weight of 148.16 g/mol. Its IUPAC name is 3H-indene-1,2-diol.

Molecular Properties

Compound Name3H-indene-1,2-diol
PubChem CID69341367
Molecular FormulaC9H8O2
Molecular Weight148.16 g/mol
Exact Mass148.05
IUPAC Name3H-indene-1,2-diol
SMILESOC1=C(O)c2ccccc2C1
InChIInChI=1S/C9H8O2/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4,10-11H,5H2
InChIKeyHVPCYOGIBAFLNZ-UHFFFAOYSA-N
XLogP2.03
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3H-indene-1,2-diol?
The IUPAC name of 3H-indene-1,2-diol (CID 69341367) is 3H-indene-1,2-diol.
What is the SMILES notation for 3H-indene-1,2-diol?
The canonical SMILES for 3H-indene-1,2-diol is OC1=C(O)c2ccccc2C1.
What is the InChIKey of 3H-indene-1,2-diol?
The InChIKey is HVPCYOGIBAFLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O2/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4,10-11H,5H2.
What are the key properties of 3H-indene-1,2-diol?
3H-indene-1,2-diol has a molecular weight of 148.16 g/mol, XLogP of 2.03, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-indene-1,2-diol is sourced from PubChem (CID 69341367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).