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

C9H10O2 — CID 141184813

IUPAC7-hydroxy-2,3,4,5-tetrahydroinden-1-one
SMILESO=C1CCC2=C1C(O)=CCC2
InChIInChI=1S/C9H10O2/c10-7-3-1-2-6-4-5-8(11)9(6)7/h3,10H,1-2,4-5H2
InChIKeyHSJRCUZIGYVIDA-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.88
Rot. Bonds

About 7-hydroxy-2,3,4,5-tetrahydroinden-1-one

7-hydroxy-2,3,4,5-tetrahydroinden-1-one (PubChem CID 141184813) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 7-hydroxy-2,3,4,5-tetrahydroinden-1-one.

Molecular Properties

Compound Name7-hydroxy-2,3,4,5-tetrahydroinden-1-one
PubChem CID141184813
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name7-hydroxy-2,3,4,5-tetrahydroinden-1-one
SMILESO=C1CCC2=C1C(O)=CCC2
InChIInChI=1S/C9H10O2/c10-7-3-1-2-6-4-5-8(11)9(6)7/h3,10H,1-2,4-5H2
InChIKeyHSJRCUZIGYVIDA-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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Related Compounds

4-Hydroxy-5,6,7,8-tetrahydronaphthalene-1,2-dione
CID 271310
(6S)-6-hydroxy-7-methyl-1,4,5,6-tetrahydroinden-2-one
CID 145994557
4-Hydroxy-3-(3-methylbut-2-enyl)-5,6,7,8-tetrahydronaphthalene-1,2-dione
CID 271311
3,5-Dibutyl-4-hydroxycyclohexa-3,5-diene-1,2-dione
CID 14562984
2-(Cyclohexen-1-yl)-4-hydroxy-3-methylcyclopent-2-en-1-one
CID 20336790
6-Hydroxy-1,2,3,4-tetrahydroinden-5-one
CID 67913356
1-Hydroxy-2,3,6,7-tetrahydroinden-5-one
CID 68551655
5-hydroxy-3,4,7,8-tetrahydro-2H-naphthalen-1-one
CID 70246304
3-(4-Hydroxycyclohexa-1,3-dien-1-yl)cyclohex-2-en-1-one
CID 70453618
3-Hydroxy-2,3,4,5-tetrahydroinden-1-one
CID 126728128
6-Hydroxy-2,3,4,5-tetrahydroinden-1-one
CID 141010155
4,7-Dihydroxy-2,3,4,5-tetrahydroinden-1-one
CID 141457774

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2,3,4,5-tetrahydroinden-1-one?
The IUPAC name of 7-hydroxy-2,3,4,5-tetrahydroinden-1-one (CID 141184813) is 7-hydroxy-2,3,4,5-tetrahydroinden-1-one.
What is the SMILES notation for 7-hydroxy-2,3,4,5-tetrahydroinden-1-one?
The canonical SMILES for 7-hydroxy-2,3,4,5-tetrahydroinden-1-one is O=C1CCC2=C1C(O)=CCC2.
What is the InChIKey of 7-hydroxy-2,3,4,5-tetrahydroinden-1-one?
The InChIKey is HSJRCUZIGYVIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c10-7-3-1-2-6-4-5-8(11)9(6)7/h3,10H,1-2,4-5H2.
What are the key properties of 7-hydroxy-2,3,4,5-tetrahydroinden-1-one?
7-hydroxy-2,3,4,5-tetrahydroinden-1-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 7-hydroxy-2,3,4,5-tetrahydroinden-1-one is sourced from PubChem (CID 141184813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).