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

C10H10O2 — CID 590289

IUPAC7-hydroxy-3-methyl-2,3-dihydroinden-1-one
SMILESCC1CC(=O)c2c(O)cccc21
InChIInChI=1S/C10H10O2/c1-6-5-9(12)10-7(6)3-2-4-8(10)11/h2-4,6,11H,5H2,1H3
InChIKeyBXSCKKLLJILRDS-UHFFFAOYSA-N
MW162.19 g/mol
LogP2.08
Rot. Bonds

About 7-hydroxy-3-methyl-2,3-dihydroinden-1-one

7-hydroxy-3-methyl-2,3-dihydroinden-1-one (PubChem CID 590289) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is 7-hydroxy-3-methyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name7-hydroxy-3-methyl-2,3-dihydroinden-1-one
PubChem CID590289
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name7-hydroxy-3-methyl-2,3-dihydroinden-1-one
SMILESCC1CC(=O)c2c(O)cccc21
InChIInChI=1S/C10H10O2/c1-6-5-9(12)10-7(6)3-2-4-8(10)11/h2-4,6,11H,5H2,1H3
InChIKeyBXSCKKLLJILRDS-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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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-methyl-2,3-dihydroinden-1-one?
The IUPAC name of 7-hydroxy-3-methyl-2,3-dihydroinden-1-one (CID 590289) is 7-hydroxy-3-methyl-2,3-dihydroinden-1-one.
What is the SMILES notation for 7-hydroxy-3-methyl-2,3-dihydroinden-1-one?
The canonical SMILES for 7-hydroxy-3-methyl-2,3-dihydroinden-1-one is CC1CC(=O)c2c(O)cccc21.
What is the InChIKey of 7-hydroxy-3-methyl-2,3-dihydroinden-1-one?
The InChIKey is BXSCKKLLJILRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2/c1-6-5-9(12)10-7(6)3-2-4-8(10)11/h2-4,6,11H,5H2,1H3.
What are the key properties of 7-hydroxy-3-methyl-2,3-dihydroinden-1-one?
7-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 7-hydroxy-3-methyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 590289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).