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

C9H10O2 — CID 21184679

IUPAC2-hydroxy-1,2,3,4-tetrahydroinden-5-one
SMILESO=C1C=CC2=C(C1)CC(O)C2
InChIInChI=1S/C9H10O2/c10-8-2-1-6-3-9(11)5-7(6)4-8/h1-2,9,11H,3-5H2
InChIKeyKKEQNHBOGAURSN-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.97
Rot. Bonds

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

2-hydroxy-1,2,3,4-tetrahydroinden-5-one (PubChem CID 21184679) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 2-hydroxy-1,2,3,4-tetrahydroinden-5-one.

Molecular Properties

Compound Name2-hydroxy-1,2,3,4-tetrahydroinden-5-one
PubChem CID21184679
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name2-hydroxy-1,2,3,4-tetrahydroinden-5-one
SMILESO=C1C=CC2=C(C1)CC(O)C2
InChIInChI=1S/C9H10O2/c10-8-2-1-6-3-9(11)5-7(6)4-8/h1-2,9,11H,3-5H2
InChIKeyKKEQNHBOGAURSN-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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(2Z)-5-hydroxycyclooct-2-en-1-one
CID 123216773
2-Hydroxy-2,3,4,5-tetrahydroinden-1-one
CID 141127926
5-Hydroxy-2,3,4,5-tetrahydroinden-1-one
CID 141380429
4,7-Dihydroxy-2,3,4,5-tetrahydroinden-1-one
CID 141457774
1-Hydroxy-1,2,3,4-tetrahydroinden-5-one
CID 154447900
(3aR)-5-hydroxy-2-methylidene-3a,4,5,6-tetrahydro-3H-inden-1-one
CID 172792412
1-(4-Hydroxycyclohexen-1-yl)ethanone
CID 82253987
1-(2-Ethenylcyclohexen-1-yl)-2-hydroxyethanone
CID 86047296
1-[(4S)-4-hydroxycyclohexen-1-yl]ethanone
CID 95003062
(9Z)-6-hydroxy-3,5,8-trimethylidenedodeca-9,11-dien-2-one
CID 142943692

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1,2,3,4-tetrahydroinden-5-one?
The IUPAC name of 2-hydroxy-1,2,3,4-tetrahydroinden-5-one (CID 21184679) is 2-hydroxy-1,2,3,4-tetrahydroinden-5-one.
What is the SMILES notation for 2-hydroxy-1,2,3,4-tetrahydroinden-5-one?
The canonical SMILES for 2-hydroxy-1,2,3,4-tetrahydroinden-5-one is O=C1C=CC2=C(C1)CC(O)C2.
What is the InChIKey of 2-hydroxy-1,2,3,4-tetrahydroinden-5-one?
The InChIKey is KKEQNHBOGAURSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c10-8-2-1-6-3-9(11)5-7(6)4-8/h1-2,9,11H,3-5H2.
What are the key properties of 2-hydroxy-1,2,3,4-tetrahydroinden-5-one?
2-hydroxy-1,2,3,4-tetrahydroinden-5-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 2-hydroxy-1,2,3,4-tetrahydroinden-5-one is sourced from PubChem (CID 21184679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).