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

C10H10O2 — CID 5005111

IUPAC4-hydroxy-7-methyl-2,3-dihydroinden-1-one
SMILESCc1ccc(O)c2c1C(=O)CC2
InChIInChI=1S/C10H10O2/c1-6-2-4-8(11)7-3-5-9(12)10(6)7/h2,4,11H,3,5H2,1H3
InChIKeyLQCJCAYSGRFFCU-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.83
Rot. Bonds

About 4-hydroxy-7-methyl-2,3-dihydroinden-1-one

4-hydroxy-7-methyl-2,3-dihydroinden-1-one (PubChem CID 5005111) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is 4-hydroxy-7-methyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name4-hydroxy-7-methyl-2,3-dihydroinden-1-one
PubChem CID5005111
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name4-hydroxy-7-methyl-2,3-dihydroinden-1-one
SMILESCc1ccc(O)c2c1C(=O)CC2
InChIInChI=1S/C10H10O2/c1-6-2-4-8(11)7-3-5-9(12)10(6)7/h2,4,11H,3,5H2,1H3
InChIKeyLQCJCAYSGRFFCU-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-7-methyl-2,3-dihydroinden-1-one?
The IUPAC name of 4-hydroxy-7-methyl-2,3-dihydroinden-1-one (CID 5005111) is 4-hydroxy-7-methyl-2,3-dihydroinden-1-one.
What is the SMILES notation for 4-hydroxy-7-methyl-2,3-dihydroinden-1-one?
The canonical SMILES for 4-hydroxy-7-methyl-2,3-dihydroinden-1-one is Cc1ccc(O)c2c1C(=O)CC2.
What is the InChIKey of 4-hydroxy-7-methyl-2,3-dihydroinden-1-one?
The InChIKey is LQCJCAYSGRFFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2/c1-6-2-4-8(11)7-3-5-9(12)10(6)7/h2,4,11H,3,5H2,1H3.
What are the key properties of 4-hydroxy-7-methyl-2,3-dihydroinden-1-one?
4-hydroxy-7-methyl-2,3-dihydroinden-1-one has a molecular weight of 162.19 g/mol, XLogP of 1.83, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-7-methyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 5005111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).