1-(1-methyl-6H-phenalen-2-yl)ethanone

C16H14O — CID 101125512

IUPAC1-(1-methyl-6H-phenalen-2-yl)ethanone
SMILESCC(=O)c1cc2c3c(cccc3c1C)CC=C2
InChIInChI=1S/C16H14O/c1-10-14-8-4-6-12-5-3-7-13(16(12)14)9-15(10)11(2)17/h3-4,6-9H,5H2,1-2H3
InChIKeyQZTHLWVMMLXMFC-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.92
Rot. Bonds1

About 1-(1-methyl-6H-phenalen-2-yl)ethanone

1-(1-methyl-6H-phenalen-2-yl)ethanone (PubChem CID 101125512) has the molecular formula C16H14O and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-(1-methyl-6H-phenalen-2-yl)ethanone.

Molecular Properties

Compound Name1-(1-methyl-6H-phenalen-2-yl)ethanone
PubChem CID101125512
Molecular FormulaC16H14O
Molecular Weight222.29 g/mol
Exact Mass222.10
IUPAC Name1-(1-methyl-6H-phenalen-2-yl)ethanone
SMILESCC(=O)c1cc2c3c(cccc3c1C)CC=C2
InChIInChI=1S/C16H14O/c1-10-14-8-4-6-12-5-3-7-13(16(12)14)9-15(10)11(2)17/h3-4,6-9H,5H2,1-2H3
InChIKeyQZTHLWVMMLXMFC-UHFFFAOYSA-N
XLogP3.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-methyl-5,6-dihydro-4H-phenalen-2-yl)ethanone
CID 101125511
6-(6H-phenalen-1-yl)-1H-phenalene
CID 132501427
1-(6-acetyl-2-pyridinyl)ethanone;1H-phenalene
CID 134539411
methyl 6H-phenalene-2-carboxylate
CID 142201169
1H-phenalene;propanoic acid
CID 174844804
1-(3H-inden-5-yl)ethanone;hydrochloride
CID 68526957
ethanediperoxoic acid;1H-phenalene
CID 174546441
1H-phenalene;prop-2-ynoic acid
CID 174671367
4-hydroxy-3-oxatricyclo[7.3.1.05,13]trideca-1(12),4,6,9(13),10-pentaen-2-one
CID 91284764
6-carbamoylnaphthalene-2-carboxylic acid;1H-phenalene
CID 174922794
1H-phenalene;hydrofluoride
CID 174317076
cyclobutene;1H-phenalene
CID 175310152

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-6H-phenalen-2-yl)ethanone?
The IUPAC name of 1-(1-methyl-6H-phenalen-2-yl)ethanone (CID 101125512) is 1-(1-methyl-6H-phenalen-2-yl)ethanone.
What is the SMILES notation for 1-(1-methyl-6H-phenalen-2-yl)ethanone?
The canonical SMILES for 1-(1-methyl-6H-phenalen-2-yl)ethanone is CC(=O)c1cc2c3c(cccc3c1C)CC=C2.
What is the InChIKey of 1-(1-methyl-6H-phenalen-2-yl)ethanone?
The InChIKey is QZTHLWVMMLXMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O/c1-10-14-8-4-6-12-5-3-7-13(16(12)14)9-15(10)11(2)17/h3-4,6-9H,5H2,1-2H3.
What are the key properties of 1-(1-methyl-6H-phenalen-2-yl)ethanone?
1-(1-methyl-6H-phenalen-2-yl)ethanone has a molecular weight of 222.29 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-6H-phenalen-2-yl)ethanone is sourced from PubChem (CID 101125512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).