2-bromo-1-(6-methylnaphthalen-2-yl)ethanone

C13H11BrO — CID 12698900

IUPAC2-bromo-1-(6-methylnaphthalen-2-yl)ethanone
SMILESCc1ccc2cc(C(=O)CBr)ccc2c1
InChIInChI=1S/C13H11BrO/c1-9-2-3-11-7-12(13(15)8-14)5-4-10(11)6-9/h2-7H,8H2,1H3
InChIKeyUYZKBDOVBQHHHV-UHFFFAOYSA-N
MW263.13 g/mol
LogP3.73
Rot. Bonds2

About 2-bromo-1-(6-methylnaphthalen-2-yl)ethanone

2-bromo-1-(6-methylnaphthalen-2-yl)ethanone (PubChem CID 12698900) has the molecular formula C13H11BrO and a molecular weight of 263.13 g/mol. Its IUPAC name is 2-bromo-1-(6-methylnaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(6-methylnaphthalen-2-yl)ethanone
PubChem CID12698900
Molecular FormulaC13H11BrO
Molecular Weight263.13 g/mol
Exact Mass262.00
IUPAC Name2-bromo-1-(6-methylnaphthalen-2-yl)ethanone
SMILESCc1ccc2cc(C(=O)CBr)ccc2c1
InChIInChI=1S/C13H11BrO/c1-9-2-3-11-7-12(13(15)8-14)5-4-10(11)6-9/h2-7H,8H2,1H3
InChIKeyUYZKBDOVBQHHHV-UHFFFAOYSA-N
XLogP3.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.13
LogP ≤ 53.73
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

CID 88929951
CID 88929951
2-bromo-1-(6-methylsulfanylnaphthalen-2-yl)ethanone
CID 54038986
3-amino-1-(6-methylnaphthalen-2-yl)propan-1-one
CID 116915436
3-(methylamino)-1-(6-methylnaphthalen-2-yl)propan-1-one
CID 116915455
mercury(2+);bis(6-methylnaphthalene-2-carboxylate)
CID 22604897
2-bromo-1-(4-methylphenyl)ethanone;ethane;1-(4-methylphenyl)ethanone
CID 143457171
2-bromo-1-(2,6-dimethylnaphthalen-1-yl)ethanone
CID 125472731
2-(6-methylnaphthalen-2-yl)-2-oxoacetaldehyde
CID 15032601
2-methyl-1-(6-methylnaphthalen-2-yl)propan-1-one
CID 13199366
2-bromo-1-(4-hydroxy-3-methylphenyl)ethanone
CID 11218449
2-bromo-1-(4-iodo-3-methylphenyl)ethanone
CID 91882538
2-bromo-1-[7-(2-bromoacetyl)phenazin-2-yl]ethanone
CID 87114794

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(6-methylnaphthalen-2-yl)ethanone?
The IUPAC name of 2-bromo-1-(6-methylnaphthalen-2-yl)ethanone (CID 12698900) is 2-bromo-1-(6-methylnaphthalen-2-yl)ethanone.
What is the SMILES notation for 2-bromo-1-(6-methylnaphthalen-2-yl)ethanone?
The canonical SMILES for 2-bromo-1-(6-methylnaphthalen-2-yl)ethanone is Cc1ccc2cc(C(=O)CBr)ccc2c1.
What is the InChIKey of 2-bromo-1-(6-methylnaphthalen-2-yl)ethanone?
The InChIKey is UYZKBDOVBQHHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrO/c1-9-2-3-11-7-12(13(15)8-14)5-4-10(11)6-9/h2-7H,8H2,1H3.
What are the key properties of 2-bromo-1-(6-methylnaphthalen-2-yl)ethanone?
2-bromo-1-(6-methylnaphthalen-2-yl)ethanone has a molecular weight of 263.13 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(6-methylnaphthalen-2-yl)ethanone is sourced from PubChem (CID 12698900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).