(3R,4R)-3,4-dimethyl-4-phenyl-2,3-dihydronaphthalen-1-one

C18H18O — CID 125117217

IUPAC(3R,4R)-3,4-dimethyl-4-phenyl-2,3-dihydronaphthalen-1-one
SMILESC[C@@H]1CC(=O)c2ccccc2[C@@]1(C)c1ccccc1
InChIInChI=1S/C18H18O/c1-13-12-17(19)15-10-6-7-11-16(15)18(13,2)14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3/t13-,18-/m1/s1
InChIKeyRMCVJQZHRUAYMH-FZKQIMNGSA-N
MW250.34 g/mol
LogP4.22
Rot. Bonds1

About (3R,4R)-3,4-dimethyl-4-phenyl-2,3-dihydronaphthalen-1-one

(3R,4R)-3,4-dimethyl-4-phenyl-2,3-dihydronaphthalen-1-one (PubChem CID 125117217) has the molecular formula C18H18O and a molecular weight of 250.34 g/mol. Its IUPAC name is (3R,4R)-3,4-dimethyl-4-phenyl-2,3-dihydronaphthalen-1-one.

Molecular Properties

Compound Name(3R,4R)-3,4-dimethyl-4-phenyl-2,3-dihydronaphthalen-1-one
PubChem CID125117217
Molecular FormulaC18H18O
Molecular Weight250.34 g/mol
Exact Mass250.14
IUPAC Name(3R,4R)-3,4-dimethyl-4-phenyl-2,3-dihydronaphthalen-1-one
SMILESC[C@@H]1CC(=O)c2ccccc2[C@@]1(C)c1ccccc1
InChIInChI=1S/C18H18O/c1-13-12-17(19)15-10-6-7-11-16(15)18(13,2)14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3/t13-,18-/m1/s1
InChIKeyRMCVJQZHRUAYMH-FZKQIMNGSA-N
XLogP4.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-3-methyl-4-nitro-2,3-dihydronaphthalen-1-one
CID 5249228
(2R,3R)-3-hydroxy-2-methyl-2-phenyl-3H-inden-1-one
CID 156789508
(3S,4S)-3,4-dimethyl-3-phenylpyrrolidine-2,5-dione
CID 921939
4-hydroxy-2,3-dimethyl-3,4-diphenyl-2H-naphthalen-1-one
CID 10268957
(2'R,4'S)-2',3',4'-trimethylspiro[2H-indene-3,1'-cyclobutane]-1-one
CID 135173286
5,6-dimethyl-5-phenylcyclohex-2-ene-1,4-dione
CID 174860981
3-fluoro-3-methyl-2H-inden-1-one
CID 122380797
(2S)-2,3,3-trimethyl-2H-inden-1-one
CID 76958281
3-hydroxy-2-(4-methylcyclohexyl)-3-phenylisoindol-1-one
CID 5305502
cis-(2S,3S)-3-hydroxy-2-methyl-2-phenylcyclopentan-1-one
CID 131179314
2,3-dimethyl-3-phenylcyclobutan-1-one
CID 131076191
1,2-dimethyl-2,3-dihydroindene-1-carboxylic acid
CID 70198956

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3,4-dimethyl-4-phenyl-2,3-dihydronaphthalen-1-one?
The IUPAC name of (3R,4R)-3,4-dimethyl-4-phenyl-2,3-dihydronaphthalen-1-one (CID 125117217) is (3R,4R)-3,4-dimethyl-4-phenyl-2,3-dihydronaphthalen-1-one.
What is the SMILES notation for (3R,4R)-3,4-dimethyl-4-phenyl-2,3-dihydronaphthalen-1-one?
The canonical SMILES for (3R,4R)-3,4-dimethyl-4-phenyl-2,3-dihydronaphthalen-1-one is C[C@@H]1CC(=O)c2ccccc2[C@@]1(C)c1ccccc1.
What is the InChIKey of (3R,4R)-3,4-dimethyl-4-phenyl-2,3-dihydronaphthalen-1-one?
The InChIKey is RMCVJQZHRUAYMH-FZKQIMNGSA-N. The full InChI is InChI=1S/C18H18O/c1-13-12-17(19)15-10-6-7-11-16(15)18(13,2)14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3/t13-,18-/m1/s1.
What are the key properties of (3R,4R)-3,4-dimethyl-4-phenyl-2,3-dihydronaphthalen-1-one?
(3R,4R)-3,4-dimethyl-4-phenyl-2,3-dihydronaphthalen-1-one has a molecular weight of 250.34 g/mol, XLogP of 4.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3,4-dimethyl-4-phenyl-2,3-dihydronaphthalen-1-one is sourced from PubChem (CID 125117217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).