1-(2,3-dimethyl-1H-naphthalen-2-yl)ethanone

C14H16O — CID 102244322

IUPAC1-(2,3-dimethyl-1H-naphthalen-2-yl)ethanone
SMILESCC(=O)C1(C)Cc2ccccc2C=C1C
InChIInChI=1S/C14H16O/c1-10-8-12-6-4-5-7-13(12)9-14(10,3)11(2)15/h4-8H,9H2,1-3H3
InChIKeyCSMBGOSBYIEBQB-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.24
Rot. Bonds1

About 1-(2,3-dimethyl-1H-naphthalen-2-yl)ethanone

1-(2,3-dimethyl-1H-naphthalen-2-yl)ethanone (PubChem CID 102244322) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-(2,3-dimethyl-1H-naphthalen-2-yl)ethanone.

Molecular Properties

Compound Name1-(2,3-dimethyl-1H-naphthalen-2-yl)ethanone
PubChem CID102244322
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name1-(2,3-dimethyl-1H-naphthalen-2-yl)ethanone
SMILESCC(=O)C1(C)Cc2ccccc2C=C1C
InChIInChI=1S/C14H16O/c1-10-8-12-6-4-5-7-13(12)9-14(10,3)11(2)15/h4-8H,9H2,1-3H3
InChIKeyCSMBGOSBYIEBQB-UHFFFAOYSA-N
XLogP3.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

methyl 6,6-dimethyl-5,7-dihydrobenzo[7]annulene-8-carboxylate
CID 22620570
1-(1-methyl-2H-acenaphthylen-1-yl)ethanone
CID 11310341
3-acetyl-1H-naphthalen-2-one
CID 143739602
7,7-dimethyl-8,9-dihydrobenzo[7]annulene-6-carboxylic acid
CID 22620474
3-methyl-9a-(4-methylphenyl)-1,9-dihydrocyclopenta[b]naphthalene
CID 154714031
ethane;2-methyl-1H-indene
CID 54388135
6,7-dimethyl-9H-benzo[7]annulene
CID 142104722
3-methyl-2-oxo-1,4-dihydroquinoline-3-carboxylic acid
CID 19820541
dilithium;hydride;2-methyl-1H-indene
CID 174389256
2-methyl-1H-indene;titanium(3+);trichloride
CID 157408587
1-(2,2-dimethyl-3,4-dihydrochromen-3-yl)ethanone
CID 172679993
ethyl 1H-indene-2-carboxylate
CID 15378309

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethyl-1H-naphthalen-2-yl)ethanone?
The IUPAC name of 1-(2,3-dimethyl-1H-naphthalen-2-yl)ethanone (CID 102244322) is 1-(2,3-dimethyl-1H-naphthalen-2-yl)ethanone.
What is the SMILES notation for 1-(2,3-dimethyl-1H-naphthalen-2-yl)ethanone?
The canonical SMILES for 1-(2,3-dimethyl-1H-naphthalen-2-yl)ethanone is CC(=O)C1(C)Cc2ccccc2C=C1C.
What is the InChIKey of 1-(2,3-dimethyl-1H-naphthalen-2-yl)ethanone?
The InChIKey is CSMBGOSBYIEBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O/c1-10-8-12-6-4-5-7-13(12)9-14(10,3)11(2)15/h4-8H,9H2,1-3H3.
What are the key properties of 1-(2,3-dimethyl-1H-naphthalen-2-yl)ethanone?
1-(2,3-dimethyl-1H-naphthalen-2-yl)ethanone has a molecular weight of 200.28 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethyl-1H-naphthalen-2-yl)ethanone is sourced from PubChem (CID 102244322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).