1-(4-methyl-1H-inden-1-yl)ethanone

C12H12O — CID 58705072

IUPAC1-(4-methyl-1H-inden-1-yl)ethanone
SMILESCC(=O)C1C=Cc2c(C)cccc21
InChIInChI=1S/C12H12O/c1-8-4-3-5-12-10(8)6-7-11(12)9(2)13/h3-7,11H,1-2H3
InChIKeyILPXIDBMJFBDLK-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.69
Rot. Bonds1

About 1-(4-methyl-1H-inden-1-yl)ethanone

1-(4-methyl-1H-inden-1-yl)ethanone (PubChem CID 58705072) has the molecular formula C12H12O and a molecular weight of 172.23 g/mol. Its IUPAC name is 1-(4-methyl-1H-inden-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-methyl-1H-inden-1-yl)ethanone
PubChem CID58705072
Molecular FormulaC12H12O
Molecular Weight172.23 g/mol
Exact Mass172.09
IUPAC Name1-(4-methyl-1H-inden-1-yl)ethanone
SMILESCC(=O)C1C=Cc2c(C)cccc21
InChIInChI=1S/C12H12O/c1-8-4-3-5-12-10(8)6-7-11(12)9(2)13/h3-7,11H,1-2H3
InChIKeyILPXIDBMJFBDLK-UHFFFAOYSA-N
XLogP2.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4,8-dimethyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 128707688
1-[2-(2-fluoro-3-methylphenyl)cyclopropyl]ethanone
CID 130847822
methyl 2-cyclobutyl-6-methylbenzoate
CID 144575018
acetic acid;ethyl 1H-indene-1-carboxylate
CID 174482190
N-[(1S,2S)-1-hydroxy-4-methyl-2,3-dihydro-1H-inden-2-yl]acetamide
CID 146168558
1-[2-(2,4-dimethyl-1H-inden-1-yl)propan-2-yl]-2,4-dimethyl-1H-indene
CID 139962826
1-[butyl(pentyl)carbamoyl]-1H-indene-4-carboxylic acid
CID 121424172
2-cyclopentyl-6-methylbenzoyl chloride
CID 144574773
S-(2,6-dimethylphenyl) ethanethioate
CID 14148890
carbanide;1-(2,6-dimethylphenyl)ethanone;yttrium
CID 159397931
2-(4,5-dimethyl-9H-fluoren-9-yl)acetic acid
CID 82578908
(2-cyclopenta-2,4-dien-1-yl-6-methylphenyl) 2-methylprop-2-enoate
CID 164546897

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1H-inden-1-yl)ethanone?
The IUPAC name of 1-(4-methyl-1H-inden-1-yl)ethanone (CID 58705072) is 1-(4-methyl-1H-inden-1-yl)ethanone.
What is the SMILES notation for 1-(4-methyl-1H-inden-1-yl)ethanone?
The canonical SMILES for 1-(4-methyl-1H-inden-1-yl)ethanone is CC(=O)C1C=Cc2c(C)cccc21.
What is the InChIKey of 1-(4-methyl-1H-inden-1-yl)ethanone?
The InChIKey is ILPXIDBMJFBDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O/c1-8-4-3-5-12-10(8)6-7-11(12)9(2)13/h3-7,11H,1-2H3.
What are the key properties of 1-(4-methyl-1H-inden-1-yl)ethanone?
1-(4-methyl-1H-inden-1-yl)ethanone has a molecular weight of 172.23 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1H-inden-1-yl)ethanone is sourced from PubChem (CID 58705072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).