5-hydroxy-3-methyl-2,3-dihydroinden-1-one

C10H10O2 — CID 590299

IUPAC5-hydroxy-3-methyl-2,3-dihydroinden-1-one
SMILESCC1CC(=O)c2ccc(O)cc21
InChIInChI=1S/C10H10O2/c1-6-4-10(12)8-3-2-7(11)5-9(6)8/h2-3,5-6,11H,4H2,1H3
InChIKeyQUPRDUJXKPSIBY-UHFFFAOYSA-N
MW162.19 g/mol
LogP2.08
Rot. Bonds

About 5-hydroxy-3-methyl-2,3-dihydroinden-1-one

5-hydroxy-3-methyl-2,3-dihydroinden-1-one (PubChem CID 590299) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is 5-hydroxy-3-methyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5-hydroxy-3-methyl-2,3-dihydroinden-1-one
PubChem CID590299
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name5-hydroxy-3-methyl-2,3-dihydroinden-1-one
SMILESCC1CC(=O)c2ccc(O)cc21
InChIInChI=1S/C10H10O2/c1-6-4-10(12)8-3-2-7(11)5-9(6)8/h2-3,5-6,11H,4H2,1H3
InChIKeyQUPRDUJXKPSIBY-UHFFFAOYSA-N
XLogP2.08
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3',4'-Dihydroxyacetophenone
CID 14530
4'-Hydroxy-3'-methylacetophenone
CID 70135
3-Hydroxyacetophenone
CID 8487
1-(3,4-Dihydroxyphenyl)-2-methyl-1-propanone
CID 21632
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CID 75766
4-Hydroxy-9-fluorenone
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6-Hydroxy-3,4-dihydro-1(2H)-naphthalenone
CID 4679494

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-methyl-2,3-dihydroinden-1-one?
The IUPAC name of 5-hydroxy-3-methyl-2,3-dihydroinden-1-one (CID 590299) is 5-hydroxy-3-methyl-2,3-dihydroinden-1-one.
What is the SMILES notation for 5-hydroxy-3-methyl-2,3-dihydroinden-1-one?
The canonical SMILES for 5-hydroxy-3-methyl-2,3-dihydroinden-1-one is CC1CC(=O)c2ccc(O)cc21.
What is the InChIKey of 5-hydroxy-3-methyl-2,3-dihydroinden-1-one?
The InChIKey is QUPRDUJXKPSIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2/c1-6-4-10(12)8-3-2-7(11)5-9(6)8/h2-3,5-6,11H,4H2,1H3.
What are the key properties of 5-hydroxy-3-methyl-2,3-dihydroinden-1-one?
5-hydroxy-3-methyl-2,3-dihydroinden-1-one has a molecular weight of 162.19 g/mol, XLogP of 2.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-methyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 590299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).