2-ethyl-2-hydroxy-3,4-dihydronaphthalen-1-one

C12H14O2 — CID 14142328

IUPAC2-ethyl-2-hydroxy-3,4-dihydronaphthalen-1-one
SMILESCCC1(O)CCc2ccccc2C1=O
InChIInChI=1S/C12H14O2/c1-2-12(14)8-7-9-5-3-4-6-10(9)11(12)13/h3-6,14H,2,7-8H2,1H3
InChIKeyRJODYSFGGBOLHJ-UHFFFAOYSA-N
MW190.24 g/mol
LogP1.96
Rot. Bonds1

About 2-ethyl-2-hydroxy-3,4-dihydronaphthalen-1-one

2-ethyl-2-hydroxy-3,4-dihydronaphthalen-1-one (PubChem CID 14142328) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2-ethyl-2-hydroxy-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name2-ethyl-2-hydroxy-3,4-dihydronaphthalen-1-one
PubChem CID14142328
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name2-ethyl-2-hydroxy-3,4-dihydronaphthalen-1-one
SMILESCCC1(O)CCc2ccccc2C1=O
InChIInChI=1S/C12H14O2/c1-2-12(14)8-7-9-5-3-4-6-10(9)11(12)13/h3-6,14H,2,7-8H2,1H3
InChIKeyRJODYSFGGBOLHJ-UHFFFAOYSA-N
XLogP1.96
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 70355
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CID 10381845
4-Hydroxysaprothoquinone
CID 5325817
Isonaphthazarine
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2-Hydroxy-1H-phenalen-1-one
CID 12644642
Bis(4-(2-hydroxy-2-methylpropionyl)phenyl)methane
CID 22019754
2-Hydroxy-1-(4-phenylphenyl)ethan-1-one
CID 344659
2-Hydroxy-1,2-diphenyl-1-propanone
CID 344693
(4R)-4-hydroxy-4,7-dimethyl-2-propan-2-ylnaphthalen-1-one
CID 101129355
(5R,8R)-5-hydroxy-5-methyl-8-propan-2-yl-7,8-dihydro-6H-naphthalene-2-carboxylic acid
CID 127041791

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-hydroxy-3,4-dihydronaphthalen-1-one?
The IUPAC name of 2-ethyl-2-hydroxy-3,4-dihydronaphthalen-1-one (CID 14142328) is 2-ethyl-2-hydroxy-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for 2-ethyl-2-hydroxy-3,4-dihydronaphthalen-1-one?
The canonical SMILES for 2-ethyl-2-hydroxy-3,4-dihydronaphthalen-1-one is CCC1(O)CCc2ccccc2C1=O.
What is the InChIKey of 2-ethyl-2-hydroxy-3,4-dihydronaphthalen-1-one?
The InChIKey is RJODYSFGGBOLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-2-12(14)8-7-9-5-3-4-6-10(9)11(12)13/h3-6,14H,2,7-8H2,1H3.
What are the key properties of 2-ethyl-2-hydroxy-3,4-dihydronaphthalen-1-one?
2-ethyl-2-hydroxy-3,4-dihydronaphthalen-1-one has a molecular weight of 190.24 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-hydroxy-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 14142328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).