1-(4,8-diethyl-1-hydroxy-2H-naphthalen-1-yl)ethanone

C16H20O2 — CID 141151450

IUPAC1-(4,8-diethyl-1-hydroxy-2H-naphthalen-1-yl)ethanone
SMILESCCC1=CCC(O)(C(C)=O)c2c(CC)cccc21
InChIInChI=1S/C16H20O2/c1-4-12-9-10-16(18,11(3)17)15-13(5-2)7-6-8-14(12)15/h6-9,18H,4-5,10H2,1-3H3
InChIKeyJYGZINLMLYHOIK-UHFFFAOYSA-N
MW244.33 g/mol
LogP3.22
Rot. Bonds3

About 1-(4,8-diethyl-1-hydroxy-2H-naphthalen-1-yl)ethanone

1-(4,8-diethyl-1-hydroxy-2H-naphthalen-1-yl)ethanone (PubChem CID 141151450) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 1-(4,8-diethyl-1-hydroxy-2H-naphthalen-1-yl)ethanone.

Molecular Properties

Compound Name1-(4,8-diethyl-1-hydroxy-2H-naphthalen-1-yl)ethanone
PubChem CID141151450
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name1-(4,8-diethyl-1-hydroxy-2H-naphthalen-1-yl)ethanone
SMILESCCC1=CCC(O)(C(C)=O)c2c(CC)cccc21
InChIInChI=1S/C16H20O2/c1-4-12-9-10-16(18,11(3)17)15-13(5-2)7-6-8-14(12)15/h6-9,18H,4-5,10H2,1-3H3
InChIKeyJYGZINLMLYHOIK-UHFFFAOYSA-N
XLogP3.22
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4,8-diethyl-1-hydroxy-2H-naphthalen-1-yl)ethanone?
The IUPAC name of 1-(4,8-diethyl-1-hydroxy-2H-naphthalen-1-yl)ethanone (CID 141151450) is 1-(4,8-diethyl-1-hydroxy-2H-naphthalen-1-yl)ethanone.
What is the SMILES notation for 1-(4,8-diethyl-1-hydroxy-2H-naphthalen-1-yl)ethanone?
The canonical SMILES for 1-(4,8-diethyl-1-hydroxy-2H-naphthalen-1-yl)ethanone is CCC1=CCC(O)(C(C)=O)c2c(CC)cccc21.
What is the InChIKey of 1-(4,8-diethyl-1-hydroxy-2H-naphthalen-1-yl)ethanone?
The InChIKey is JYGZINLMLYHOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c1-4-12-9-10-16(18,11(3)17)15-13(5-2)7-6-8-14(12)15/h6-9,18H,4-5,10H2,1-3H3.
What are the key properties of 1-(4,8-diethyl-1-hydroxy-2H-naphthalen-1-yl)ethanone?
1-(4,8-diethyl-1-hydroxy-2H-naphthalen-1-yl)ethanone has a molecular weight of 244.33 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,8-diethyl-1-hydroxy-2H-naphthalen-1-yl)ethanone is sourced from PubChem (CID 141151450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).