4,4,6-trimethyl-1,3-dihydronaphthalen-2-one

C13H16O — CID 10997784

IUPAC4,4,6-trimethyl-1,3-dihydronaphthalen-2-one
SMILESCc1ccc2c(c1)C(C)(C)CC(=O)C2
InChIInChI=1S/C13H16O/c1-9-4-5-10-7-11(14)8-13(2,3)12(10)6-9/h4-6H,7-8H2,1-3H3
InChIKeyMUWVKRQFMNNZLC-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.79
Rot. Bonds

About 4,4,6-trimethyl-1,3-dihydronaphthalen-2-one

4,4,6-trimethyl-1,3-dihydronaphthalen-2-one (PubChem CID 10997784) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 4,4,6-trimethyl-1,3-dihydronaphthalen-2-one.

Molecular Properties

Compound Name4,4,6-trimethyl-1,3-dihydronaphthalen-2-one
PubChem CID10997784
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name4,4,6-trimethyl-1,3-dihydronaphthalen-2-one
SMILESCc1ccc2c(c1)C(C)(C)CC(=O)C2
InChIInChI=1S/C13H16O/c1-9-4-5-10-7-11(14)8-13(2,3)12(10)6-9/h4-6H,7-8H2,1-3H3
InChIKeyMUWVKRQFMNNZLC-UHFFFAOYSA-N
XLogP2.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;4,4,6-trimethyl-2,3-dihydronaphthalen-1-one
CID 142087326
3,3,6-trimethyl-2H-inden-1-one
CID 594538
4,4,6-trimethyl-2,3-dihydro-1H-isoquinoline
CID 22978924
2,10,10-trimethyl-9H-phenanthrene
CID 175802483
ethane;7-methyl-4H-isoquinoline-1,3-dione
CID 143015596
7-methylspiro[1,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]-2-one
CID 67993558
ethane;5-methyl-1,3-dihydroindol-2-one
CID 91234498
10,27-dimethylnonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4,6(14),8(13),9,11,15,19,21,23(31),25(30),26,28,32-pentadecaene
CID 157144570
5,14-dimethyltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
CID 123351808
bis(2,7-dimethyl-9H-fluorene);ethane;methane
CID 159270379
2,5-dimethyl-1,3-dihydroindene-2-carboxylic acid
CID 84719506
7-methylspiro[3,4-dihydronaphthalene-1,1'-cyclopropane]-2-one
CID 115010920

Frequently Asked Questions

What is the IUPAC name of 4,4,6-trimethyl-1,3-dihydronaphthalen-2-one?
The IUPAC name of 4,4,6-trimethyl-1,3-dihydronaphthalen-2-one (CID 10997784) is 4,4,6-trimethyl-1,3-dihydronaphthalen-2-one.
What is the SMILES notation for 4,4,6-trimethyl-1,3-dihydronaphthalen-2-one?
The canonical SMILES for 4,4,6-trimethyl-1,3-dihydronaphthalen-2-one is Cc1ccc2c(c1)C(C)(C)CC(=O)C2.
What is the InChIKey of 4,4,6-trimethyl-1,3-dihydronaphthalen-2-one?
The InChIKey is MUWVKRQFMNNZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-9-4-5-10-7-11(14)8-13(2,3)12(10)6-9/h4-6H,7-8H2,1-3H3.
What are the key properties of 4,4,6-trimethyl-1,3-dihydronaphthalen-2-one?
4,4,6-trimethyl-1,3-dihydronaphthalen-2-one has a molecular weight of 188.27 g/mol, XLogP of 2.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6-trimethyl-1,3-dihydronaphthalen-2-one is sourced from PubChem (CID 10997784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).