1-(1-methyl-5,6-dihydro-4H-phenalen-2-yl)ethanone

C16H16O — CID 101125511

IUPAC1-(1-methyl-5,6-dihydro-4H-phenalen-2-yl)ethanone
SMILESCC(=O)c1cc2c3c(cccc3c1C)CCC2
InChIInChI=1S/C16H16O/c1-10-14-8-4-6-12-5-3-7-13(16(12)14)9-15(10)11(2)17/h4,6,8-9H,3,5,7H2,1-2H3
InChIKeyBMJATFJCKPSABL-UHFFFAOYSA-N
MW224.30 g/mol
LogP3.84
Rot. Bonds1

About 1-(1-methyl-5,6-dihydro-4H-phenalen-2-yl)ethanone

1-(1-methyl-5,6-dihydro-4H-phenalen-2-yl)ethanone (PubChem CID 101125511) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-(1-methyl-5,6-dihydro-4H-phenalen-2-yl)ethanone.

Molecular Properties

Compound Name1-(1-methyl-5,6-dihydro-4H-phenalen-2-yl)ethanone
PubChem CID101125511
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name1-(1-methyl-5,6-dihydro-4H-phenalen-2-yl)ethanone
SMILESCC(=O)c1cc2c3c(cccc3c1C)CCC2
InChIInChI=1S/C16H16O/c1-10-14-8-4-6-12-5-3-7-13(16(12)14)9-15(10)11(2)17/h4,6,8-9H,3,5,7H2,1-2H3
InChIKeyBMJATFJCKPSABL-UHFFFAOYSA-N
XLogP3.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-methyl-6H-phenalen-2-yl)ethanone
CID 101125512
1-(6-methyl-2,3-dihydro-1H-inden-5-yl)ethanone
CID 58928828
4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,2-dihydroacenaphthylen-5-ol
CID 135455311
1-(3,4-dihydro-2H-chromen-8-yl)ethanone
CID 82599043
(E)-1,3-bis(1,2-dihydroacenaphthylen-5-yl)but-2-en-1-one
CID 177492356
N-(3-chloro-2-methylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide
CID 23992050
methyl 3-methyl-5-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaene-4-carboxylate
CID 46183128
1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 83988269
hexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-1,3,5,7,9(21),13,15(20),16,18-nonaene
CID 155791380
(1E)-1-(3,4-dihydro-2H-naphthalen-1-ylidene)propan-2-one
CID 142003176
1-(5-methylnaphthalen-1-yl)ethanone
CID 15563480
1-(3-ethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 165345844

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-5,6-dihydro-4H-phenalen-2-yl)ethanone?
The IUPAC name of 1-(1-methyl-5,6-dihydro-4H-phenalen-2-yl)ethanone (CID 101125511) is 1-(1-methyl-5,6-dihydro-4H-phenalen-2-yl)ethanone.
What is the SMILES notation for 1-(1-methyl-5,6-dihydro-4H-phenalen-2-yl)ethanone?
The canonical SMILES for 1-(1-methyl-5,6-dihydro-4H-phenalen-2-yl)ethanone is CC(=O)c1cc2c3c(cccc3c1C)CCC2.
What is the InChIKey of 1-(1-methyl-5,6-dihydro-4H-phenalen-2-yl)ethanone?
The InChIKey is BMJATFJCKPSABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O/c1-10-14-8-4-6-12-5-3-7-13(16(12)14)9-15(10)11(2)17/h4,6,8-9H,3,5,7H2,1-2H3.
What are the key properties of 1-(1-methyl-5,6-dihydro-4H-phenalen-2-yl)ethanone?
1-(1-methyl-5,6-dihydro-4H-phenalen-2-yl)ethanone has a molecular weight of 224.30 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-5,6-dihydro-4H-phenalen-2-yl)ethanone is sourced from PubChem (CID 101125511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).