3-methyl-1-naphthalen-2-ylhexan-1-one

C17H20O — CID 55187540

IUPAC3-methyl-1-naphthalen-2-ylhexan-1-one
SMILESCCCC(C)CC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H20O/c1-3-6-13(2)11-17(18)16-10-9-14-7-4-5-8-15(14)12-16/h4-5,7-10,12-13H,3,6,11H2,1-2H3
InChIKeyHRZXUGXJUHVGCP-UHFFFAOYSA-N
MW240.35 g/mol
LogP4.85
Rot. Bonds5

About 3-methyl-1-naphthalen-2-ylhexan-1-one

3-methyl-1-naphthalen-2-ylhexan-1-one (PubChem CID 55187540) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-methyl-1-naphthalen-2-ylhexan-1-one.

Molecular Properties

Compound Name3-methyl-1-naphthalen-2-ylhexan-1-one
PubChem CID55187540
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Name3-methyl-1-naphthalen-2-ylhexan-1-one
SMILESCCCC(C)CC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H20O/c1-3-6-13(2)11-17(18)16-10-9-14-7-4-5-8-15(14)12-16/h4-5,7-10,12-13H,3,6,11H2,1-2H3
InChIKeyHRZXUGXJUHVGCP-UHFFFAOYSA-N
XLogP4.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-naphthalen-2-ylhexan-1-one?
The IUPAC name of 3-methyl-1-naphthalen-2-ylhexan-1-one (CID 55187540) is 3-methyl-1-naphthalen-2-ylhexan-1-one.
What is the SMILES notation for 3-methyl-1-naphthalen-2-ylhexan-1-one?
The canonical SMILES for 3-methyl-1-naphthalen-2-ylhexan-1-one is CCCC(C)CC(=O)c1ccc2ccccc2c1.
What is the InChIKey of 3-methyl-1-naphthalen-2-ylhexan-1-one?
The InChIKey is HRZXUGXJUHVGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O/c1-3-6-13(2)11-17(18)16-10-9-14-7-4-5-8-15(14)12-16/h4-5,7-10,12-13H,3,6,11H2,1-2H3.
What are the key properties of 3-methyl-1-naphthalen-2-ylhexan-1-one?
3-methyl-1-naphthalen-2-ylhexan-1-one has a molecular weight of 240.35 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-naphthalen-2-ylhexan-1-one is sourced from PubChem (CID 55187540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).