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

C9H10O2 — CID 67913356

IUPAC6-hydroxy-1,2,3,4-tetrahydroinden-5-one
SMILESO=C1CC2=C(C=C1O)CCC2
InChIInChI=1S/C9H10O2/c10-8-4-6-2-1-3-7(6)5-9(8)11/h4,10H,1-3,5H2
InChIKeyYQTMHUZYHDFHJA-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.88
Rot. Bonds

About 6-hydroxy-1,2,3,4-tetrahydroinden-5-one

6-hydroxy-1,2,3,4-tetrahydroinden-5-one (PubChem CID 67913356) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 6-hydroxy-1,2,3,4-tetrahydroinden-5-one.

Molecular Properties

Compound Name6-hydroxy-1,2,3,4-tetrahydroinden-5-one
PubChem CID67913356
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name6-hydroxy-1,2,3,4-tetrahydroinden-5-one
SMILESO=C1CC2=C(C=C1O)CCC2
InChIInChI=1S/C9H10O2/c10-8-4-6-2-1-3-7(6)5-9(8)11/h4,10H,1-3,5H2
InChIKeyYQTMHUZYHDFHJA-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1,2,3,4-tetrahydroinden-5-one?
The IUPAC name of 6-hydroxy-1,2,3,4-tetrahydroinden-5-one (CID 67913356) is 6-hydroxy-1,2,3,4-tetrahydroinden-5-one.
What is the SMILES notation for 6-hydroxy-1,2,3,4-tetrahydroinden-5-one?
The canonical SMILES for 6-hydroxy-1,2,3,4-tetrahydroinden-5-one is O=C1CC2=C(C=C1O)CCC2.
What is the InChIKey of 6-hydroxy-1,2,3,4-tetrahydroinden-5-one?
The InChIKey is YQTMHUZYHDFHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c10-8-4-6-2-1-3-7(6)5-9(8)11/h4,10H,1-3,5H2.
What are the key properties of 6-hydroxy-1,2,3,4-tetrahydroinden-5-one?
6-hydroxy-1,2,3,4-tetrahydroinden-5-one has a molecular weight of 150.18 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1,2,3,4-tetrahydroinden-5-one is sourced from PubChem (CID 67913356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).