2-acetyl-4-phenyl-3,4-dihydro-2H-naphthalen-1-one

C18H16O2 — CID 102165445

IUPAC2-acetyl-4-phenyl-3,4-dihydro-2H-naphthalen-1-one
SMILESCC(=O)C1CC(c2ccccc2)c2ccccc2C1=O
InChIInChI=1S/C18H16O2/c1-12(19)16-11-17(13-7-3-2-4-8-13)14-9-5-6-10-15(14)18(16)20/h2-10,16-17H,11H2,1H3
InChIKeyZDEUFYHNKFBLRW-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.61
Rot. Bonds2

About 2-acetyl-4-phenyl-3,4-dihydro-2H-naphthalen-1-one

2-acetyl-4-phenyl-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 102165445) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-acetyl-4-phenyl-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name2-acetyl-4-phenyl-3,4-dihydro-2H-naphthalen-1-one
PubChem CID102165445
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name2-acetyl-4-phenyl-3,4-dihydro-2H-naphthalen-1-one
SMILESCC(=O)C1CC(c2ccccc2)c2ccccc2C1=O
InChIInChI=1S/C18H16O2/c1-12(19)16-11-17(13-7-3-2-4-8-13)14-9-5-6-10-15(14)18(16)20/h2-10,16-17H,11H2,1H3
InChIKeyZDEUFYHNKFBLRW-UHFFFAOYSA-N
XLogP3.61
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethyl 1-oxo-4-phenyl-3,4-dihydro-2H-naphthalene-2-carboxylate
CID 102165448
(1S,9S)-tetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-8-one
CID 98115763
8-phenylbicyclo[4.2.0]octa-1,3,5-trien-7-one
CID 14617627
(1E)-1-ethylidene-N,N-dimethyl-4-phenyl-3,4-dihydro-2H-naphthalen-2-amine
CID 101035160
1-[(9R)-9,10-dihydrophenanthren-9-yl]ethanone
CID 102253511
N-[(2R,4S,10bS)-6-oxo-4-phenyl-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-yl]acetamide
CID 72722563
5-methylidene-1-(2-methylprop-2-enoyl)-4-phenylpyrrolidin-2-one
CID 86691034
N-(4-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 10220953
(1R)-1-methyl-3-phenyl-2,3-dihydro-1H-indene
CID 163676750
N,N-dimethyl-3-phenyl-2,3-dihydro-1H-inden-1-amine
CID 21760
1-(3-amino-2,3-dihydro-1H-inden-1-yl)ethanone
CID 86775772
1-methyl-3-phenyl-2,3-dihydro-1H-isoquinolin-4-one
CID 20720956

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-4-phenyl-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 2-acetyl-4-phenyl-3,4-dihydro-2H-naphthalen-1-one (CID 102165445) is 2-acetyl-4-phenyl-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 2-acetyl-4-phenyl-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 2-acetyl-4-phenyl-3,4-dihydro-2H-naphthalen-1-one is CC(=O)C1CC(c2ccccc2)c2ccccc2C1=O.
What is the InChIKey of 2-acetyl-4-phenyl-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is ZDEUFYHNKFBLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2/c1-12(19)16-11-17(13-7-3-2-4-8-13)14-9-5-6-10-15(14)18(16)20/h2-10,16-17H,11H2,1H3.
What are the key properties of 2-acetyl-4-phenyl-3,4-dihydro-2H-naphthalen-1-one?
2-acetyl-4-phenyl-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 264.32 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-4-phenyl-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 102165445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).