2-(hydroxymethyl)-2-methyl-3H-inden-1-one

C11H12O2 — CID 11286773

IUPAC2-(hydroxymethyl)-2-methyl-3H-inden-1-one
SMILESCC1(CO)Cc2ccccc2C1=O
InChIInChI=1S/C11H12O2/c1-11(7-12)6-8-4-2-3-5-9(8)10(11)13/h2-5,12H,6-7H2,1H3
InChIKeyFJOASGYMQGDNCW-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.42
Rot. Bonds1

About 2-(hydroxymethyl)-2-methyl-3H-inden-1-one

2-(hydroxymethyl)-2-methyl-3H-inden-1-one (PubChem CID 11286773) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-(hydroxymethyl)-2-methyl-3H-inden-1-one.

Molecular Properties

Compound Name2-(hydroxymethyl)-2-methyl-3H-inden-1-one
PubChem CID11286773
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name2-(hydroxymethyl)-2-methyl-3H-inden-1-one
SMILESCC1(CO)Cc2ccccc2C1=O
InChIInChI=1S/C11H12O2/c1-11(7-12)6-8-4-2-3-5-9(8)10(11)13/h2-5,12H,6-7H2,1H3
InChIKeyFJOASGYMQGDNCW-UHFFFAOYSA-N
XLogP1.42
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-2-methyl-3H-inden-1-one?
The IUPAC name of 2-(hydroxymethyl)-2-methyl-3H-inden-1-one (CID 11286773) is 2-(hydroxymethyl)-2-methyl-3H-inden-1-one.
What is the SMILES notation for 2-(hydroxymethyl)-2-methyl-3H-inden-1-one?
The canonical SMILES for 2-(hydroxymethyl)-2-methyl-3H-inden-1-one is CC1(CO)Cc2ccccc2C1=O.
What is the InChIKey of 2-(hydroxymethyl)-2-methyl-3H-inden-1-one?
The InChIKey is FJOASGYMQGDNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-11(7-12)6-8-4-2-3-5-9(8)10(11)13/h2-5,12H,6-7H2,1H3.
What are the key properties of 2-(hydroxymethyl)-2-methyl-3H-inden-1-one?
2-(hydroxymethyl)-2-methyl-3H-inden-1-one has a molecular weight of 176.22 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-2-methyl-3H-inden-1-one is sourced from PubChem (CID 11286773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).