2-ethyl-5-hydroxy-3,4-dihydro-2H-naphthalen-1-one

C12H14O2 — CID 24977005

IUPAC2-ethyl-5-hydroxy-3,4-dihydro-2H-naphthalen-1-one
SMILESCCC1CCc2c(O)cccc2C1=O
InChIInChI=1S/C12H14O2/c1-2-8-6-7-9-10(12(8)14)4-3-5-11(9)13/h3-5,8,13H,2,6-7H2,1H3
InChIKeyXBEXXKGEVYNVED-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.55
Rot. Bonds1

About 2-ethyl-5-hydroxy-3,4-dihydro-2H-naphthalen-1-one

2-ethyl-5-hydroxy-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 24977005) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2-ethyl-5-hydroxy-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name2-ethyl-5-hydroxy-3,4-dihydro-2H-naphthalen-1-one
PubChem CID24977005
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name2-ethyl-5-hydroxy-3,4-dihydro-2H-naphthalen-1-one
SMILESCCC1CCc2c(O)cccc2C1=O
InChIInChI=1S/C12H14O2/c1-2-8-6-7-9-10(12(8)14)4-3-5-11(9)13/h3-5,8,13H,2,6-7H2,1H3
InChIKeyXBEXXKGEVYNVED-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-5-hydroxy-3,4-dihydro-2H-naphthalen-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Chrysophanol
CID 10208
1,8-Dihydroxyanthraquinone
CID 2950
Plumbagin
CID 10205
Juglone
CID 3806
Anthralin
CID 2202
Quinizarin
CID 6688
Aloe emodin
CID 10207
Naphthazarin
CID 10141
3-Hydroxy-2-naphthoic acid
CID 7104
1-Hydroxyanthraquinone
CID 8512
2,6-Dihydroxyanthraquinone
CID 6776
Chrysophanic acid-9-anthrone
CID 68111

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-hydroxy-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 2-ethyl-5-hydroxy-3,4-dihydro-2H-naphthalen-1-one (CID 24977005) is 2-ethyl-5-hydroxy-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 2-ethyl-5-hydroxy-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 2-ethyl-5-hydroxy-3,4-dihydro-2H-naphthalen-1-one is CCC1CCc2c(O)cccc2C1=O.
What is the InChIKey of 2-ethyl-5-hydroxy-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is XBEXXKGEVYNVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-2-8-6-7-9-10(12(8)14)4-3-5-11(9)13/h3-5,8,13H,2,6-7H2,1H3.
What are the key properties of 2-ethyl-5-hydroxy-3,4-dihydro-2H-naphthalen-1-one?
2-ethyl-5-hydroxy-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 190.24 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-hydroxy-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 24977005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).