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

C13H11BrO3 — CID 4779140

IUPACmethyl 2-(1-bromonaphthalen-2-yl)oxyacetate
SMILESCOC(=O)COc1ccc2ccccc2c1Br
InChIInChI=1S/C13H11BrO3/c1-16-12(15)8-17-11-7-6-9-4-2-3-5-10(9)13(11)14/h2-7H,8H2,1H3
InChIKeyCUZRLPCKOXUKFO-UHFFFAOYSA-N
MW295.13 g/mol
LogP3.15
Rot. Bonds3

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

methyl 2-(1-bromonaphthalen-2-yl)oxyacetate (PubChem CID 4779140) has the molecular formula C13H11BrO3 and a molecular weight of 295.13 g/mol. Its IUPAC name is methyl 2-(1-bromonaphthalen-2-yl)oxyacetate.

Molecular Properties

Compound Namemethyl 2-(1-bromonaphthalen-2-yl)oxyacetate
PubChem CID4779140
Molecular FormulaC13H11BrO3
Molecular Weight295.13 g/mol
Exact Mass293.99
IUPAC Namemethyl 2-(1-bromonaphthalen-2-yl)oxyacetate
SMILESCOC(=O)COc1ccc2ccccc2c1Br
InChIInChI=1S/C13H11BrO3/c1-16-12(15)8-17-11-7-6-9-4-2-3-5-10(9)13(11)14/h2-7H,8H2,1H3
InChIKeyCUZRLPCKOXUKFO-UHFFFAOYSA-N
XLogP3.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.13
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[2-[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinyl]-3-oxopropanoate
CID 28638196
tert-butyl 2-(1-bromonaphthalen-2-yl)oxyacetate
CID 58522023
[2-(methylamino)-2-oxoethyl] 2-(1-bromonaphthalen-2-yl)oxyacetate
CID 40627603
(1-bromonaphthalen-2-yl) 2-(2-methoxyphenoxy)acetate
CID 7918561
methyl 3-(1-bromonaphthalen-2-yl)oxy-2,2-dimethylpropanoate
CID 79622787
2-(1-bromonaphthalen-2-yl)oxy-N-(2-methoxyphenyl)acetamide
CID 7642319
2-(1-bromonaphthalen-2-yl)oxy-N-(2-methylpropyl)acetamide
CID 7642347
N-(2-acetamidophenyl)-2-(1-bromonaphthalen-2-yl)oxyacetamide
CID 1300372
methyl 2-[4-[4-(2-methoxy-2-oxoethoxy)naphthalen-1-yl]naphthalen-1-yl]oxyacetate
CID 172816463
4-[2-(1-bromonaphthalen-2-yl)oxyacetyl]oxybenzoic acid
CID 54855272
2-(1-bromonaphthalen-2-yl)oxy-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 37004225
methyl 2-(1-bromonaphthalen-2-yl)acetate
CID 14492154

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-bromonaphthalen-2-yl)oxyacetate?
The IUPAC name of methyl 2-(1-bromonaphthalen-2-yl)oxyacetate (CID 4779140) is methyl 2-(1-bromonaphthalen-2-yl)oxyacetate.
What is the SMILES notation for methyl 2-(1-bromonaphthalen-2-yl)oxyacetate?
The canonical SMILES for methyl 2-(1-bromonaphthalen-2-yl)oxyacetate is COC(=O)COc1ccc2ccccc2c1Br.
What is the InChIKey of methyl 2-(1-bromonaphthalen-2-yl)oxyacetate?
The InChIKey is CUZRLPCKOXUKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrO3/c1-16-12(15)8-17-11-7-6-9-4-2-3-5-10(9)13(11)14/h2-7H,8H2,1H3.
What are the key properties of methyl 2-(1-bromonaphthalen-2-yl)oxyacetate?
methyl 2-(1-bromonaphthalen-2-yl)oxyacetate has a molecular weight of 295.13 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-bromonaphthalen-2-yl)oxyacetate is sourced from PubChem (CID 4779140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).