methyl 2-(1-bromonaphthalen-2-yl)acetate

C13H11BrO2 — CID 14492154

IUPACmethyl 2-(1-bromonaphthalen-2-yl)acetate
SMILESCOC(=O)Cc1ccc2ccccc2c1Br
InChIInChI=1S/C13H11BrO2/c1-16-12(15)8-10-7-6-9-4-2-3-5-11(9)13(10)14/h2-7H,8H2,1H3
InChIKeySTBANCXPBRZPEA-UHFFFAOYSA-N
MW279.13 g/mol
LogP3.32
Rot. Bonds2

About methyl 2-(1-bromonaphthalen-2-yl)acetate

methyl 2-(1-bromonaphthalen-2-yl)acetate (PubChem CID 14492154) has the molecular formula C13H11BrO2 and a molecular weight of 279.13 g/mol. Its IUPAC name is methyl 2-(1-bromonaphthalen-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(1-bromonaphthalen-2-yl)acetate
PubChem CID14492154
Molecular FormulaC13H11BrO2
Molecular Weight279.13 g/mol
Exact Mass277.99
IUPAC Namemethyl 2-(1-bromonaphthalen-2-yl)acetate
SMILESCOC(=O)Cc1ccc2ccccc2c1Br
InChIInChI=1S/C13H11BrO2/c1-16-12(15)8-10-7-6-9-4-2-3-5-11(9)13(10)14/h2-7H,8H2,1H3
InChIKeySTBANCXPBRZPEA-UHFFFAOYSA-N
XLogP3.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.13
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(1-bromonaphthalen-2-yl)oxyacetate
CID 4779140
methyl 2-(2-bromoquinolin-4-yl)acetate
CID 90316081
methyl 2-(2-bromobenzo[e][1]benzofuran-1-yl)acetate
CID 4907957
methyl 3-[2-[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinyl]-3-oxopropanoate
CID 28638196
methyl 2-(2-bromo-3-iodo-4-methylphenyl)acetate
CID 171026161
methyl 2-(4-aminonaphthalen-1-yl)acetate;hydrochloride
CID 44533305
methyl 2-(8-bromo-2-chloroquinazolin-7-yl)acetate
CID 175012235
methyl 2-(3-bromo-2,4-difluorophenyl)acetate
CID 131171218
methyl 2-(2-bromo-3-cyano-4-ethylphenyl)acetate
CID 134614121
methyl 2-[2-(2-oxopropyl)phenyl]acetate
CID 70551388
(1-bromonaphthalen-2-yl) 2-(2-fluorophenyl)acetate
CID 7918557
methyl 3-(1-bromonaphthalen-2-yl)oxy-2,2-dimethylpropanoate
CID 79622787

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-bromonaphthalen-2-yl)acetate?
The IUPAC name of methyl 2-(1-bromonaphthalen-2-yl)acetate (CID 14492154) is methyl 2-(1-bromonaphthalen-2-yl)acetate.
What is the SMILES notation for methyl 2-(1-bromonaphthalen-2-yl)acetate?
The canonical SMILES for methyl 2-(1-bromonaphthalen-2-yl)acetate is COC(=O)Cc1ccc2ccccc2c1Br.
What is the InChIKey of methyl 2-(1-bromonaphthalen-2-yl)acetate?
The InChIKey is STBANCXPBRZPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrO2/c1-16-12(15)8-10-7-6-9-4-2-3-5-11(9)13(10)14/h2-7H,8H2,1H3.
What are the key properties of methyl 2-(1-bromonaphthalen-2-yl)acetate?
methyl 2-(1-bromonaphthalen-2-yl)acetate has a molecular weight of 279.13 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-bromonaphthalen-2-yl)acetate is sourced from PubChem (CID 14492154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).