1-(2-ethyl-4-ethylidene-3-hydroxy-1,3-dihydronaphthalen-2-yl)ethanone

C16H20O2 — CID 143503876

IUPAC1-(2-ethyl-4-ethylidene-3-hydroxy-1,3-dihydronaphthalen-2-yl)ethanone
SMILESCC=C1c2ccccc2CC(CC)(C(C)=O)C1O
InChIInChI=1S/C16H20O2/c1-4-13-14-9-7-6-8-12(14)10-16(5-2,11(3)17)15(13)18/h4,6-9,15,18H,5,10H2,1-3H3
InChIKeyHJZTWBLZJBFRDH-UHFFFAOYSA-N
MW244.33 g/mol
LogP2.99
Rot. Bonds2

About 1-(2-ethyl-4-ethylidene-3-hydroxy-1,3-dihydronaphthalen-2-yl)ethanone

1-(2-ethyl-4-ethylidene-3-hydroxy-1,3-dihydronaphthalen-2-yl)ethanone (PubChem CID 143503876) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 1-(2-ethyl-4-ethylidene-3-hydroxy-1,3-dihydronaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name1-(2-ethyl-4-ethylidene-3-hydroxy-1,3-dihydronaphthalen-2-yl)ethanone
PubChem CID143503876
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name1-(2-ethyl-4-ethylidene-3-hydroxy-1,3-dihydronaphthalen-2-yl)ethanone
SMILESCC=C1c2ccccc2CC(CC)(C(C)=O)C1O
InChIInChI=1S/C16H20O2/c1-4-13-14-9-7-6-8-12(14)10-16(5-2,11(3)17)15(13)18/h4,6-9,15,18H,5,10H2,1-3H3
InChIKeyHJZTWBLZJBFRDH-UHFFFAOYSA-N
XLogP2.99
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,3-diethyl-2,4-dihydroisoquinolin-1-ylidene)-1-phenylethanone
CID 69209614
3-ethenyl-3-(4-methylpent-3-enyl)-4H-isochromen-1-one
CID 102417197
2-(3-ethyl-3-methyl-2,4-dihydroisoquinolin-1-ylidene)-N-methylacetamide;hydrochloride
CID 73449358
2-[(E)-but-2-enyl]-2-ethyl-1,3-dihydroindene
CID 174634333
trans-(1R,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylic acid
CID 70637110
2-methyl-4-oxo-1,3-dihydronaphthalene-2-carboxylic acid
CID 12822852
9H-fluorene;propanoic acid
CID 67831567
2-ethenyl-2-ethyl-1,3-dihydroindene
CID 174620320
6,6-diethyl-7H-isoquinolino[2,1-a]quinolin-5-ium
CID 123727541
2-(2-ethyl-4-oxo-1,3-dihydronaphthalen-2-yl)-N-(3-hydroxy-5-methylphenyl)acetamide
CID 166247233
2-(3,3-dimethyl-4H-isoquinolin-1-yl)-1-(1-propylsulfonylpiperidin-4-yl)ethanone
CID 90913884
2-bromo-1-(2-ethyl-1,3-dihydroinden-2-yl)ethanone
CID 11010958

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-4-ethylidene-3-hydroxy-1,3-dihydronaphthalen-2-yl)ethanone?
The IUPAC name of 1-(2-ethyl-4-ethylidene-3-hydroxy-1,3-dihydronaphthalen-2-yl)ethanone (CID 143503876) is 1-(2-ethyl-4-ethylidene-3-hydroxy-1,3-dihydronaphthalen-2-yl)ethanone.
What is the SMILES notation for 1-(2-ethyl-4-ethylidene-3-hydroxy-1,3-dihydronaphthalen-2-yl)ethanone?
The canonical SMILES for 1-(2-ethyl-4-ethylidene-3-hydroxy-1,3-dihydronaphthalen-2-yl)ethanone is CC=C1c2ccccc2CC(CC)(C(C)=O)C1O.
What is the InChIKey of 1-(2-ethyl-4-ethylidene-3-hydroxy-1,3-dihydronaphthalen-2-yl)ethanone?
The InChIKey is HJZTWBLZJBFRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c1-4-13-14-9-7-6-8-12(14)10-16(5-2,11(3)17)15(13)18/h4,6-9,15,18H,5,10H2,1-3H3.
What are the key properties of 1-(2-ethyl-4-ethylidene-3-hydroxy-1,3-dihydronaphthalen-2-yl)ethanone?
1-(2-ethyl-4-ethylidene-3-hydroxy-1,3-dihydronaphthalen-2-yl)ethanone has a molecular weight of 244.33 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-4-ethylidene-3-hydroxy-1,3-dihydronaphthalen-2-yl)ethanone is sourced from PubChem (CID 143503876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).