4-ethoxy-4-methyl-2,3-dihydro-1H-cyclopenta[a]naphthalen-5-one

C16H18O2 — CID 122383701

IUPAC4-ethoxy-4-methyl-2,3-dihydro-1H-cyclopenta[a]naphthalen-5-one
SMILESCCOC1(C)C(=O)c2ccccc2C2=C1CCC2
InChIInChI=1S/C16H18O2/c1-3-18-16(2)14-10-6-9-12(14)11-7-4-5-8-13(11)15(16)17/h4-5,7-8H,3,6,9-10H2,1-2H3
InChIKeyNBZRGEYSBJBVEG-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.62
Rot. Bonds2

About 4-ethoxy-4-methyl-2,3-dihydro-1H-cyclopenta[a]naphthalen-5-one

4-ethoxy-4-methyl-2,3-dihydro-1H-cyclopenta[a]naphthalen-5-one (PubChem CID 122383701) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-ethoxy-4-methyl-2,3-dihydro-1H-cyclopenta[a]naphthalen-5-one.

Molecular Properties

Compound Name4-ethoxy-4-methyl-2,3-dihydro-1H-cyclopenta[a]naphthalen-5-one
PubChem CID122383701
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name4-ethoxy-4-methyl-2,3-dihydro-1H-cyclopenta[a]naphthalen-5-one
SMILESCCOC1(C)C(=O)c2ccccc2C2=C1CCC2
InChIInChI=1S/C16H18O2/c1-3-18-16(2)14-10-6-9-12(14)11-7-4-5-8-13(11)15(16)17/h4-5,7-8H,3,6,9-10H2,1-2H3
InChIKeyNBZRGEYSBJBVEG-UHFFFAOYSA-N
XLogP3.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-diethoxy-3H-inden-1-one
CID 11557601
2,2-dimethoxypropane;1,2,3,4-tetrahydrofluoren-9-one
CID 67640352
1,2-diethyl-3,23-dithiahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-4,6,8,10,15,17,19,21-octaene
CID 102126591
anthracene-9,10-dione;propane
CID 162068050
1,2,3,4-tetrahydroanthracene-9,10-dione
CID 174898123
ethyl (1S)-1-(2-hydroxy-1,3-dioxoinden-2-yl)-2-oxocyclopentane-1-carboxylate
CID 762412
bis(2-benzofuran-1,3-dione);ethoxyethane
CID 87972928
1-(2-ethoxy-2-methyl-3-methylideneindol-1-yl)ethanone
CID 10900477
(1R,6R)-6-ethoxy-7-phenyl-7-azabicyclo[4.2.0]octan-8-one
CID 818417
(1R,6S)-6-ethoxy-7-phenyl-7-azabicyclo[4.2.0]octan-8-one
CID 818418
2-diethylboranyloxy-2-(2-diethylboranyloxy-1,3-dioxoinden-2-yl)indene-1,3-dione
CID 535460
10-ethoxy-10-hydroperoxy-2-methylanthracen-9-one
CID 156632250

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-4-methyl-2,3-dihydro-1H-cyclopenta[a]naphthalen-5-one?
The IUPAC name of 4-ethoxy-4-methyl-2,3-dihydro-1H-cyclopenta[a]naphthalen-5-one (CID 122383701) is 4-ethoxy-4-methyl-2,3-dihydro-1H-cyclopenta[a]naphthalen-5-one.
What is the SMILES notation for 4-ethoxy-4-methyl-2,3-dihydro-1H-cyclopenta[a]naphthalen-5-one?
The canonical SMILES for 4-ethoxy-4-methyl-2,3-dihydro-1H-cyclopenta[a]naphthalen-5-one is CCOC1(C)C(=O)c2ccccc2C2=C1CCC2.
What is the InChIKey of 4-ethoxy-4-methyl-2,3-dihydro-1H-cyclopenta[a]naphthalen-5-one?
The InChIKey is NBZRGEYSBJBVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-3-18-16(2)14-10-6-9-12(14)11-7-4-5-8-13(11)15(16)17/h4-5,7-8H,3,6,9-10H2,1-2H3.
What are the key properties of 4-ethoxy-4-methyl-2,3-dihydro-1H-cyclopenta[a]naphthalen-5-one?
4-ethoxy-4-methyl-2,3-dihydro-1H-cyclopenta[a]naphthalen-5-one has a molecular weight of 242.32 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-4-methyl-2,3-dihydro-1H-cyclopenta[a]naphthalen-5-one is sourced from PubChem (CID 122383701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).