1-(5-methylidene-7,8-dihydro-6H-naphthalen-2-yl)-2-(2,4,6-trimethylphenyl)ethanone

C22H24O — CID 153242677

IUPAC1-(5-methylidene-7,8-dihydro-6H-naphthalen-2-yl)-2-(2,4,6-trimethylphenyl)ethanone
SMILESC=C1CCCc2cc(C(=O)Cc3c(C)cc(C)cc3C)ccc21
InChIInChI=1S/C22H24O/c1-14-10-16(3)21(17(4)11-14)13-22(23)19-8-9-20-15(2)6-5-7-18(20)12-19/h8-12H,2,5-7,13H2,1,3-4H3
InChIKeyWRTGEOVXVBJWCV-UHFFFAOYSA-N
MW304.43 g/mol
LogP5.39
Rot. Bonds3

About 1-(5-methylidene-7,8-dihydro-6H-naphthalen-2-yl)-2-(2,4,6-trimethylphenyl)ethanone

1-(5-methylidene-7,8-dihydro-6H-naphthalen-2-yl)-2-(2,4,6-trimethylphenyl)ethanone (PubChem CID 153242677) has the molecular formula C22H24O and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-(5-methylidene-7,8-dihydro-6H-naphthalen-2-yl)-2-(2,4,6-trimethylphenyl)ethanone.

Molecular Properties

Compound Name1-(5-methylidene-7,8-dihydro-6H-naphthalen-2-yl)-2-(2,4,6-trimethylphenyl)ethanone
PubChem CID153242677
Molecular FormulaC22H24O
Molecular Weight304.43 g/mol
Exact Mass304.18
IUPAC Name1-(5-methylidene-7,8-dihydro-6H-naphthalen-2-yl)-2-(2,4,6-trimethylphenyl)ethanone
SMILESC=C1CCCc2cc(C(=O)Cc3c(C)cc(C)cc3C)ccc21
InChIInChI=1S/C22H24O/c1-14-10-16(3)21(17(4)11-14)13-22(23)19-8-9-20-15(2)6-5-7-18(20)12-19/h8-12H,2,5-7,13H2,1,3-4H3
InChIKeyWRTGEOVXVBJWCV-UHFFFAOYSA-N
XLogP5.39
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.43
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(5-methylidene-7,8-dihydro-6H-naphthalen-2-yl)-2-(2,4,6-trimethylphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanone
CID 62549306
1-(4-iodophenyl)-2-(2,4,6-trimethylphenyl)ethanone
CID 114966101
1-(2,3-dihydro-1H-inden-5-yl)-2-(2,5-dimethylphenyl)ethanone
CID 63491461
1-pyridin-4-yl-2-(2,4,6-trimethylphenyl)ethanone
CID 62549667
2-(3,4-dimethylphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 63490239
2-(2,6-dimethylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone
CID 116609302
2-(2,3-dihydro-1H-inden-5-yl)-1-(3,5-dimethylphenyl)ethanone
CID 114974381
1-(2,3-dihydro-1H-inden-5-yl)-4-methylpentane-1,3-dione
CID 82115674
N-[(2S)-3-methylbutan-2-yl]-4-[2-(2,4,6-trimethylphenyl)acetyl]benzamide
CID 101424780
1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 114965738
1-(3,4-dimethylphenyl)-2-[7-[2-(3,4-dimethylphenyl)-2-oxoethyl]-9H-fluoren-2-yl]ethanone
CID 157120935
1-(4-amino-3-methylphenyl)-2-(2,6-dimethylphenyl)ethanone
CID 116553942

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylidene-7,8-dihydro-6H-naphthalen-2-yl)-2-(2,4,6-trimethylphenyl)ethanone?
The IUPAC name of 1-(5-methylidene-7,8-dihydro-6H-naphthalen-2-yl)-2-(2,4,6-trimethylphenyl)ethanone (CID 153242677) is 1-(5-methylidene-7,8-dihydro-6H-naphthalen-2-yl)-2-(2,4,6-trimethylphenyl)ethanone.
What is the SMILES notation for 1-(5-methylidene-7,8-dihydro-6H-naphthalen-2-yl)-2-(2,4,6-trimethylphenyl)ethanone?
The canonical SMILES for 1-(5-methylidene-7,8-dihydro-6H-naphthalen-2-yl)-2-(2,4,6-trimethylphenyl)ethanone is C=C1CCCc2cc(C(=O)Cc3c(C)cc(C)cc3C)ccc21.
What is the InChIKey of 1-(5-methylidene-7,8-dihydro-6H-naphthalen-2-yl)-2-(2,4,6-trimethylphenyl)ethanone?
The InChIKey is WRTGEOVXVBJWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O/c1-14-10-16(3)21(17(4)11-14)13-22(23)19-8-9-20-15(2)6-5-7-18(20)12-19/h8-12H,2,5-7,13H2,1,3-4H3.
What are the key properties of 1-(5-methylidene-7,8-dihydro-6H-naphthalen-2-yl)-2-(2,4,6-trimethylphenyl)ethanone?
1-(5-methylidene-7,8-dihydro-6H-naphthalen-2-yl)-2-(2,4,6-trimethylphenyl)ethanone has a molecular weight of 304.43 g/mol, XLogP of 5.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylidene-7,8-dihydro-6H-naphthalen-2-yl)-2-(2,4,6-trimethylphenyl)ethanone is sourced from PubChem (CID 153242677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).