1-(6-butanoylnaphthalen-2-yl)butan-1-one

C18H20O2 — CID 170450514

IUPAC1-(6-butanoylnaphthalen-2-yl)butan-1-one
SMILESCCCC(=O)c1ccc2cc(C(=O)CCC)ccc2c1
InChIInChI=1S/C18H20O2/c1-3-5-17(19)15-9-7-14-12-16(18(20)6-4-2)10-8-13(14)11-15/h7-12H,3-6H2,1-2H3
InChIKeyCFVAJEFRJHKBCG-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.81
Rot. Bonds6

About 1-(6-butanoylnaphthalen-2-yl)butan-1-one

1-(6-butanoylnaphthalen-2-yl)butan-1-one (PubChem CID 170450514) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(6-butanoylnaphthalen-2-yl)butan-1-one.

Molecular Properties

Compound Name1-(6-butanoylnaphthalen-2-yl)butan-1-one
PubChem CID170450514
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name1-(6-butanoylnaphthalen-2-yl)butan-1-one
SMILESCCCC(=O)c1ccc2cc(C(=O)CCC)ccc2c1
InChIInChI=1S/C18H20O2/c1-3-5-17(19)15-9-7-14-12-16(18(20)6-4-2)10-8-13(14)11-15/h7-12H,3-6H2,1-2H3
InChIKeyCFVAJEFRJHKBCG-UHFFFAOYSA-N
XLogP4.81
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-dinaphthalen-2-ylbutane-1,4-dione
CID 593323
1-(4-methoxyphenyl)butan-1-one;hydrochloride
CID 162084347
4-(6,7-dimethylnaphthalen-2-yl)-4-oxobutanoic acid
CID 22904590
1-(6-hydroxynaphthalen-2-yl)dodecan-1-one
CID 68907241
1-(1-ethylindol-5-yl)butan-1-one
CID 71284644
1-(6-methoxynaphthalen-2-yl)tetradecan-1-one
CID 608289
1-[6-[2-[6-[2-(6-hexanoylnaphthalen-2-yl)ethenyl]anthracen-2-yl]ethenyl]naphthalen-2-yl]hexan-1-one
CID 76589950
1-[6-(dimethylamino)naphthalen-2-yl]heptan-1-one
CID 172711928
1-[6-(methylamino)naphthalen-2-yl]dodecan-1-one
CID 68906004
1-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)butan-1-one
CID 3271959
1-(4-ethylsulfanylphenyl)butan-1-one
CID 82052811
1-(3-methylphenyl)butan-1-one
CID 4304992

Frequently Asked Questions

What is the IUPAC name of 1-(6-butanoylnaphthalen-2-yl)butan-1-one?
The IUPAC name of 1-(6-butanoylnaphthalen-2-yl)butan-1-one (CID 170450514) is 1-(6-butanoylnaphthalen-2-yl)butan-1-one.
What is the SMILES notation for 1-(6-butanoylnaphthalen-2-yl)butan-1-one?
The canonical SMILES for 1-(6-butanoylnaphthalen-2-yl)butan-1-one is CCCC(=O)c1ccc2cc(C(=O)CCC)ccc2c1.
What is the InChIKey of 1-(6-butanoylnaphthalen-2-yl)butan-1-one?
The InChIKey is CFVAJEFRJHKBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-3-5-17(19)15-9-7-14-12-16(18(20)6-4-2)10-8-13(14)11-15/h7-12H,3-6H2,1-2H3.
What are the key properties of 1-(6-butanoylnaphthalen-2-yl)butan-1-one?
1-(6-butanoylnaphthalen-2-yl)butan-1-one has a molecular weight of 268.36 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-butanoylnaphthalen-2-yl)butan-1-one is sourced from PubChem (CID 170450514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).