2-bromo-1-(2,6-dimethylnaphthalen-1-yl)ethanone

C14H13BrO — CID 125472731

IUPAC2-bromo-1-(2,6-dimethylnaphthalen-1-yl)ethanone
SMILESCc1ccc2c(C(=O)CBr)c(C)ccc2c1
InChIInChI=1S/C14H13BrO/c1-9-3-6-12-11(7-9)5-4-10(2)14(12)13(16)8-15/h3-7H,8H2,1-2H3
InChIKeyWVPWCFNGMOEKOR-UHFFFAOYSA-N
MW277.16 g/mol
LogP4.03
Rot. Bonds2

About 2-bromo-1-(2,6-dimethylnaphthalen-1-yl)ethanone

2-bromo-1-(2,6-dimethylnaphthalen-1-yl)ethanone (PubChem CID 125472731) has the molecular formula C14H13BrO and a molecular weight of 277.16 g/mol. Its IUPAC name is 2-bromo-1-(2,6-dimethylnaphthalen-1-yl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(2,6-dimethylnaphthalen-1-yl)ethanone
PubChem CID125472731
Molecular FormulaC14H13BrO
Molecular Weight277.16 g/mol
Exact Mass276.01
IUPAC Name2-bromo-1-(2,6-dimethylnaphthalen-1-yl)ethanone
SMILESCc1ccc2c(C(=O)CBr)c(C)ccc2c1
InChIInChI=1S/C14H13BrO/c1-9-3-6-12-11(7-9)5-4-10(2)14(12)13(16)8-15/h3-7H,8H2,1-2H3
InChIKeyWVPWCFNGMOEKOR-UHFFFAOYSA-N
XLogP4.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.16
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-bromo-1-(2-methylnaphthalen-1-yl)ethanone;1-(2-methylnaphthalen-1-yl)ethanone;molecular bromine
CID 162190058
2-bromo-1-(6-methylnaphthalen-2-yl)ethanone
CID 12698900
2,7-dimethylphenanthrene;ethane
CID 91503011
2-bromo-1-(2,6-dimethylphenyl)ethanone
CID 14972767
[4-[(dimethylamino)methyl]phenyl]-(2,6-dimethylnaphthalen-1-yl)methanone;molecular iodine
CID 162077340
N-(3-hydroxy-2-methoxy-2-methylpropyl)-2,6-dimethylnaphthalene-1-carboxamide
CID 138023940
2-bromo-1-(2,3-diamino-6-methylphenyl)ethanone
CID 171013874
2-bromo-1-(2,3-dichloro-6-methylphenyl)ethanone
CID 130822903
1-ethyl-2,6-dimethylnaphthalene
CID 20601360
2,9-dimethylnaphtho[1,2-b]phenanthrene;3,10-dimethylnaphtho[1,2-b]phenanthrene
CID 164992833
(2-methylnaphthalen-1-yl)-(3-methylphenyl)methanone
CID 12536557
2-bromo-1-(2-bromo-5-methylphenyl)ethanone
CID 81117333

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(2,6-dimethylnaphthalen-1-yl)ethanone?
The IUPAC name of 2-bromo-1-(2,6-dimethylnaphthalen-1-yl)ethanone (CID 125472731) is 2-bromo-1-(2,6-dimethylnaphthalen-1-yl)ethanone.
What is the SMILES notation for 2-bromo-1-(2,6-dimethylnaphthalen-1-yl)ethanone?
The canonical SMILES for 2-bromo-1-(2,6-dimethylnaphthalen-1-yl)ethanone is Cc1ccc2c(C(=O)CBr)c(C)ccc2c1.
What is the InChIKey of 2-bromo-1-(2,6-dimethylnaphthalen-1-yl)ethanone?
The InChIKey is WVPWCFNGMOEKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO/c1-9-3-6-12-11(7-9)5-4-10(2)14(12)13(16)8-15/h3-7H,8H2,1-2H3.
What are the key properties of 2-bromo-1-(2,6-dimethylnaphthalen-1-yl)ethanone?
2-bromo-1-(2,6-dimethylnaphthalen-1-yl)ethanone has a molecular weight of 277.16 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(2,6-dimethylnaphthalen-1-yl)ethanone is sourced from PubChem (CID 125472731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).