3-methyl-1-naphthalen-1-yloxybutan-2-one

C15H16O2 — CID 79395677

IUPAC3-methyl-1-naphthalen-1-yloxybutan-2-one
SMILESCC(C)C(=O)COc1cccc2ccccc12
InChIInChI=1S/C15H16O2/c1-11(2)14(16)10-17-15-9-5-7-12-6-3-4-8-13(12)15/h3-9,11H,10H2,1-2H3
InChIKeyJHSDJIXUUBQSRC-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.44
Rot. Bonds4

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

3-methyl-1-naphthalen-1-yloxybutan-2-one (PubChem CID 79395677) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-methyl-1-naphthalen-1-yloxybutan-2-one.

Molecular Properties

Compound Name3-methyl-1-naphthalen-1-yloxybutan-2-one
PubChem CID79395677
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name3-methyl-1-naphthalen-1-yloxybutan-2-one
SMILESCC(C)C(=O)COc1cccc2ccccc12
InChIInChI=1S/C15H16O2/c1-11(2)14(16)10-17-15-9-5-7-12-6-3-4-8-13(12)15/h3-9,11H,10H2,1-2H3
InChIKeyJHSDJIXUUBQSRC-UHFFFAOYSA-N
XLogP3.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-naphthalen-1-yloxy-N-(1-phenylethyl)acetamide
CID 4513591
N-(4-methylpentan-2-yl)-2-naphthalen-1-yloxyacetamide
CID 11839391
N'-acetyl-2-naphthalen-1-yloxyacetohydrazide
CID 922179
2-methyl-N-[3-[(2-naphthalen-1-yloxyacetyl)amino]phenyl]propanamide
CID 21213308
N-[(2-methyl-1-phenylpropylidene)amino]-2-naphthalen-1-yloxyacetamide
CID 3255035
N-tert-butyl-2-naphthalen-1-yloxyacetamide
CID 954544
N'-(2-naphthalen-1-yloxyacetyl)-2-(4-propan-2-ylphenoxy)acetohydrazide
CID 4502710
N-[(1S)-1-cyclopropylethyl]-2-naphthalen-1-yloxyacetamide
CID 9014883
3-methyl-1-naphthalen-1-ylbutan-2-one
CID 12922161
1-(2,6-difluorophenoxy)-3-methylbutan-2-one
CID 81268709
(2R,3S)-3-hydroxy-2-[(2-naphthalen-1-yloxyacetyl)amino]butanoate
CID 2308564
N-[1-(4-fluorophenyl)ethyl]-2-naphthalen-1-yloxyacetamide
CID 42976197

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-naphthalen-1-yloxybutan-2-one?
The IUPAC name of 3-methyl-1-naphthalen-1-yloxybutan-2-one (CID 79395677) is 3-methyl-1-naphthalen-1-yloxybutan-2-one.
What is the SMILES notation for 3-methyl-1-naphthalen-1-yloxybutan-2-one?
The canonical SMILES for 3-methyl-1-naphthalen-1-yloxybutan-2-one is CC(C)C(=O)COc1cccc2ccccc12.
What is the InChIKey of 3-methyl-1-naphthalen-1-yloxybutan-2-one?
The InChIKey is JHSDJIXUUBQSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-11(2)14(16)10-17-15-9-5-7-12-6-3-4-8-13(12)15/h3-9,11H,10H2,1-2H3.
What are the key properties of 3-methyl-1-naphthalen-1-yloxybutan-2-one?
3-methyl-1-naphthalen-1-yloxybutan-2-one has a molecular weight of 228.29 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-naphthalen-1-yloxybutan-2-one is sourced from PubChem (CID 79395677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).