1-hydroxy-2,3,6,7-tetrahydroinden-5-one

C9H10O2 — CID 68551655

IUPAC1-hydroxy-2,3,6,7-tetrahydroinden-5-one
SMILESO=C1C=C2CCC(O)=C2CC1
InChIInChI=1S/C9H10O2/c10-7-2-3-8-6(5-7)1-4-9(8)11/h5,11H,1-4H2
InChIKeyCKTIQZPTYRHORL-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.88
Rot. Bonds

About 1-hydroxy-2,3,6,7-tetrahydroinden-5-one

1-hydroxy-2,3,6,7-tetrahydroinden-5-one (PubChem CID 68551655) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 1-hydroxy-2,3,6,7-tetrahydroinden-5-one.

Molecular Properties

Compound Name1-hydroxy-2,3,6,7-tetrahydroinden-5-one
PubChem CID68551655
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name1-hydroxy-2,3,6,7-tetrahydroinden-5-one
SMILESO=C1C=C2CCC(O)=C2CC1
InChIInChI=1S/C9H10O2/c10-7-2-3-8-6(5-7)1-4-9(8)11/h5,11H,1-4H2
InChIKeyCKTIQZPTYRHORL-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 1-hydroxy-2,3,6,7-tetrahydroinden-5-one?
The IUPAC name of 1-hydroxy-2,3,6,7-tetrahydroinden-5-one (CID 68551655) is 1-hydroxy-2,3,6,7-tetrahydroinden-5-one.
What is the SMILES notation for 1-hydroxy-2,3,6,7-tetrahydroinden-5-one?
The canonical SMILES for 1-hydroxy-2,3,6,7-tetrahydroinden-5-one is O=C1C=C2CCC(O)=C2CC1.
What is the InChIKey of 1-hydroxy-2,3,6,7-tetrahydroinden-5-one?
The InChIKey is CKTIQZPTYRHORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c10-7-2-3-8-6(5-7)1-4-9(8)11/h5,11H,1-4H2.
What are the key properties of 1-hydroxy-2,3,6,7-tetrahydroinden-5-one?
1-hydroxy-2,3,6,7-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 1-hydroxy-2,3,6,7-tetrahydroinden-5-one is sourced from PubChem (CID 68551655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).