5-hydroxy-2,3,4,5-tetrahydroinden-1-one

C9H10O2 — CID 141380429

IUPAC5-hydroxy-2,3,4,5-tetrahydroinden-1-one
SMILESO=C1CCC2=C1C=CC(O)C2
InChIInChI=1S/C9H10O2/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,7,10H,1,4-5H2
InChIKeyHHQMMPNASQYJSA-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.97
Rot. Bonds

About 5-hydroxy-2,3,4,5-tetrahydroinden-1-one

5-hydroxy-2,3,4,5-tetrahydroinden-1-one (PubChem CID 141380429) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 5-hydroxy-2,3,4,5-tetrahydroinden-1-one.

Molecular Properties

Compound Name5-hydroxy-2,3,4,5-tetrahydroinden-1-one
PubChem CID141380429
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name5-hydroxy-2,3,4,5-tetrahydroinden-1-one
SMILESO=C1CCC2=C1C=CC(O)C2
InChIInChI=1S/C9H10O2/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,7,10H,1,4-5H2
InChIKeyHHQMMPNASQYJSA-UHFFFAOYSA-N
XLogP0.97
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2,3,4,5-tetrahydroinden-1-one?
The IUPAC name of 5-hydroxy-2,3,4,5-tetrahydroinden-1-one (CID 141380429) is 5-hydroxy-2,3,4,5-tetrahydroinden-1-one.
What is the SMILES notation for 5-hydroxy-2,3,4,5-tetrahydroinden-1-one?
The canonical SMILES for 5-hydroxy-2,3,4,5-tetrahydroinden-1-one is O=C1CCC2=C1C=CC(O)C2.
What is the InChIKey of 5-hydroxy-2,3,4,5-tetrahydroinden-1-one?
The InChIKey is HHQMMPNASQYJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,7,10H,1,4-5H2.
What are the key properties of 5-hydroxy-2,3,4,5-tetrahydroinden-1-one?
5-hydroxy-2,3,4,5-tetrahydroinden-1-one has a molecular weight of 150.18 g/mol, XLogP of 0.97, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2,3,4,5-tetrahydroinden-1-one is sourced from PubChem (CID 141380429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).