2-benzoyl-2-methyl-3,4-dihydronaphthalen-1-one

C18H16O2 — CID 14591548

IUPAC2-benzoyl-2-methyl-3,4-dihydronaphthalen-1-one
SMILESCC1(C(=O)c2ccccc2)CCc2ccccc2C1=O
InChIInChI=1S/C18H16O2/c1-18(16(19)14-8-3-2-4-9-14)12-11-13-7-5-6-10-15(13)17(18)20/h2-10H,11-12H2,1H3
InChIKeyJUHWQJFZCXOABM-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.70
Rot. Bonds2

About 2-benzoyl-2-methyl-3,4-dihydronaphthalen-1-one

2-benzoyl-2-methyl-3,4-dihydronaphthalen-1-one (PubChem CID 14591548) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-benzoyl-2-methyl-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name2-benzoyl-2-methyl-3,4-dihydronaphthalen-1-one
PubChem CID14591548
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name2-benzoyl-2-methyl-3,4-dihydronaphthalen-1-one
SMILESCC1(C(=O)c2ccccc2)CCc2ccccc2C1=O
InChIInChI=1S/C18H16O2/c1-18(16(19)14-8-3-2-4-9-14)12-11-13-7-5-6-10-15(13)17(18)20/h2-10H,11-12H2,1H3
InChIKeyJUHWQJFZCXOABM-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
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

(2R)-2-hydroxy-2-methyl-3,4-dihydronaphthalen-1-one
CID 14120941
2-(hydroxymethyl)-2-methyl-3,4-dihydronaphthalen-1-one
CID 11344499
(1S)-1-methyl-2,3-dihydroindene-1-carboxylic acid
CID 124509477
2-(carboxymethyl)-1-oxo-3,4-dihydronaphthalene-2-carboxylic acid
CID 10634266
methyl 2-bromo-1-oxo-3,4-dihydronaphthalene-2-carboxylate
CID 101369377
ethyl 2-benzyl-1-oxo-3,4-dihydronaphthalene-2-carboxylate
CID 12858249
6-acetyl-6-hydroxy-8,9-dihydrobenzo[7]annulene-5,7-dione
CID 59771919
2-methyl-2-(4-methylphenyl)-3,4-dihydronaphthalen-1-one
CID 86243907
2-fluoro-1-oxo-N-phenyl-3,4-dihydronaphthalene-2-carboxamide
CID 154665120
methyl 5-bromo-2-methyl-1-oxo-3,4-dihydronaphthalene-2-carboxylate
CID 157023406
propan-2-yl (2S)-2-hydroxy-1-oxo-3,4-dihydronaphthalene-2-carboxylate
CID 162401307
(2S)-2-methyl-2-prop-2-enyl-3,4-dihydronaphthalen-1-one
CID 45096682

Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-2-methyl-3,4-dihydronaphthalen-1-one?
The IUPAC name of 2-benzoyl-2-methyl-3,4-dihydronaphthalen-1-one (CID 14591548) is 2-benzoyl-2-methyl-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for 2-benzoyl-2-methyl-3,4-dihydronaphthalen-1-one?
The canonical SMILES for 2-benzoyl-2-methyl-3,4-dihydronaphthalen-1-one is CC1(C(=O)c2ccccc2)CCc2ccccc2C1=O.
What is the InChIKey of 2-benzoyl-2-methyl-3,4-dihydronaphthalen-1-one?
The InChIKey is JUHWQJFZCXOABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2/c1-18(16(19)14-8-3-2-4-9-14)12-11-13-7-5-6-10-15(13)17(18)20/h2-10H,11-12H2,1H3.
What are the key properties of 2-benzoyl-2-methyl-3,4-dihydronaphthalen-1-one?
2-benzoyl-2-methyl-3,4-dihydronaphthalen-1-one has a molecular weight of 264.32 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-2-methyl-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 14591548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).