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

C9H10O2 — CID 141010155

IUPAC6-hydroxy-2,3,4,5-tetrahydroinden-1-one
SMILESO=C1CCC2=C1C=C(O)CC2
InChIInChI=1S/C9H10O2/c10-7-3-1-6-2-4-9(11)8(6)5-7/h5,10H,1-4H2
InChIKeyMQBGAZGTSGVHQC-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.88
Rot. Bonds

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

6-hydroxy-2,3,4,5-tetrahydroinden-1-one (PubChem CID 141010155) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 6-hydroxy-2,3,4,5-tetrahydroinden-1-one.

Molecular Properties

Compound Name6-hydroxy-2,3,4,5-tetrahydroinden-1-one
PubChem CID141010155
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name6-hydroxy-2,3,4,5-tetrahydroinden-1-one
SMILESO=C1CCC2=C1C=C(O)CC2
InChIInChI=1S/C9H10O2/c10-7-3-1-6-2-4-9(11)8(6)5-7/h5,10H,1-4H2
InChIKeyMQBGAZGTSGVHQC-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

7-Hydroxy-2,3,4,4a,5,6-hexahydronaphthalen-2-one
CID 12229721
1-(2-Hydroxycyclohex-1-en-1-yl)ethanone
CID 637822
3-Hydroxy-2-[(5-oxo-1-cyclopenten-1-yl)methyl]-2-cyclohexen-1-one
CID 591766
7-Hydroxy-2,3-dihydro-1-indanone
CID 141184813
5-Fluoro-6-methoxy-2,3,4,5-tetrahydroinden-1-one
CID 140987151
4-Hydroxy-5,6,7,8-tetrahydronaphthalene-1,2-dione
CID 271310
3-(3-Hydroxypropyl)cyclohex-2-en-1-one
CID 12438417
3-Hydroxy-2-(prop-2-en-1-yl)cyclohex-2-en-1-one
CID 14139932
3-(3-Oxocyclohex-1-en-1-yl)propanoic acid
CID 15942024
3-(3-Oxocyclopent-1-en-1-yl)propanoic acid
CID 22676878
(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

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2,3,4,5-tetrahydroinden-1-one?
The IUPAC name of 6-hydroxy-2,3,4,5-tetrahydroinden-1-one (CID 141010155) is 6-hydroxy-2,3,4,5-tetrahydroinden-1-one.
What is the SMILES notation for 6-hydroxy-2,3,4,5-tetrahydroinden-1-one?
The canonical SMILES for 6-hydroxy-2,3,4,5-tetrahydroinden-1-one is O=C1CCC2=C1C=C(O)CC2.
What is the InChIKey of 6-hydroxy-2,3,4,5-tetrahydroinden-1-one?
The InChIKey is MQBGAZGTSGVHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c10-7-3-1-6-2-4-9(11)8(6)5-7/h5,10H,1-4H2.
What are the key properties of 6-hydroxy-2,3,4,5-tetrahydroinden-1-one?
6-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 6-hydroxy-2,3,4,5-tetrahydroinden-1-one is sourced from PubChem (CID 141010155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).