1-(6-bromonaphthalen-2-yl)-2-methylpentan-1-one

C16H17BrO — CID 107891303

IUPAC1-(6-bromonaphthalen-2-yl)-2-methylpentan-1-one
SMILESCCCC(C)C(=O)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H17BrO/c1-3-4-11(2)16(18)14-6-5-13-10-15(17)8-7-12(13)9-14/h5-11H,3-4H2,1-2H3
InChIKeyAMPPMMTUKLKVEF-UHFFFAOYSA-N
MW305.21 g/mol
LogP5.22
Rot. Bonds4

About 1-(6-bromonaphthalen-2-yl)-2-methylpentan-1-one

1-(6-bromonaphthalen-2-yl)-2-methylpentan-1-one (PubChem CID 107891303) has the molecular formula C16H17BrO and a molecular weight of 305.21 g/mol. Its IUPAC name is 1-(6-bromonaphthalen-2-yl)-2-methylpentan-1-one.

Molecular Properties

Compound Name1-(6-bromonaphthalen-2-yl)-2-methylpentan-1-one
PubChem CID107891303
Molecular FormulaC16H17BrO
Molecular Weight305.21 g/mol
Exact Mass304.05
IUPAC Name1-(6-bromonaphthalen-2-yl)-2-methylpentan-1-one
SMILESCCCC(C)C(=O)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H17BrO/c1-3-4-11(2)16(18)14-6-5-13-10-15(17)8-7-12(13)9-14/h5-11H,3-4H2,1-2H3
InChIKeyAMPPMMTUKLKVEF-UHFFFAOYSA-N
XLogP5.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.21
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(6-bromonaphthalen-2-yl)-2-methylpropan-1-one
CID 114962080
3-(6-bromonaphthalen-2-yl)-2-methyl-3-oxopropanenitrile
CID 115354060
(2R)-2-(methylamino)-1-naphthalen-2-ylpentan-1-one
CID 124518898
2-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one
CID 43160270
1-(2,3-dihydro-1H-isoindol-5-yl)-2-methylpentan-1-one
CID 107890429
(2S)-2-bromo-1-naphthalen-2-ylpentan-1-one
CID 86328422
N-[(2R)-1-aminopropan-2-yl]-6-bromonaphthalene-2-carboxamide
CID 104877086
1-(4-chloro-3-fluorophenyl)-2-methylpentan-1-one
CID 107996960
1-(3-chloro-4-iodophenyl)-2-methylpentan-1-one
CID 107891422
1-[3-bromo-4-(2-methoxyethoxy)phenyl]-2-methylpentan-1-one
CID 104657146
(2R)-2-[(6-bromonaphthalene-2-carbonyl)amino]butanoic acid
CID 115353671
6-bromo-N-(3-hydroxy-2-methylpropyl)naphthalene-2-carboxamide
CID 113278451

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromonaphthalen-2-yl)-2-methylpentan-1-one?
The IUPAC name of 1-(6-bromonaphthalen-2-yl)-2-methylpentan-1-one (CID 107891303) is 1-(6-bromonaphthalen-2-yl)-2-methylpentan-1-one.
What is the SMILES notation for 1-(6-bromonaphthalen-2-yl)-2-methylpentan-1-one?
The canonical SMILES for 1-(6-bromonaphthalen-2-yl)-2-methylpentan-1-one is CCCC(C)C(=O)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of 1-(6-bromonaphthalen-2-yl)-2-methylpentan-1-one?
The InChIKey is AMPPMMTUKLKVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrO/c1-3-4-11(2)16(18)14-6-5-13-10-15(17)8-7-12(13)9-14/h5-11H,3-4H2,1-2H3.
What are the key properties of 1-(6-bromonaphthalen-2-yl)-2-methylpentan-1-one?
1-(6-bromonaphthalen-2-yl)-2-methylpentan-1-one has a molecular weight of 305.21 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromonaphthalen-2-yl)-2-methylpentan-1-one is sourced from PubChem (CID 107891303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).