tert-butyl 2-(1-bromonaphthalen-2-yl)oxyacetate

C16H17BrO3 — CID 58522023

IUPACtert-butyl 2-(1-bromonaphthalen-2-yl)oxyacetate
SMILESCC(C)(C)OC(=O)COc1ccc2ccccc2c1Br
InChIInChI=1S/C16H17BrO3/c1-16(2,3)20-14(18)10-19-13-9-8-11-6-4-5-7-12(11)15(13)17/h4-9H,10H2,1-3H3
InChIKeyJLMRLIHNDFKJDH-UHFFFAOYSA-N
MW337.21 g/mol
LogP4.32
Rot. Bonds3

About tert-butyl 2-(1-bromonaphthalen-2-yl)oxyacetate

tert-butyl 2-(1-bromonaphthalen-2-yl)oxyacetate (PubChem CID 58522023) has the molecular formula C16H17BrO3 and a molecular weight of 337.21 g/mol. Its IUPAC name is tert-butyl 2-(1-bromonaphthalen-2-yl)oxyacetate.

Molecular Properties

Compound Nametert-butyl 2-(1-bromonaphthalen-2-yl)oxyacetate
PubChem CID58522023
Molecular FormulaC16H17BrO3
Molecular Weight337.21 g/mol
Exact Mass336.04
IUPAC Nametert-butyl 2-(1-bromonaphthalen-2-yl)oxyacetate
SMILESCC(C)(C)OC(=O)COc1ccc2ccccc2c1Br
InChIInChI=1S/C16H17BrO3/c1-16(2,3)20-14(18)10-19-13-9-8-11-6-4-5-7-12(11)15(13)17/h4-9H,10H2,1-3H3
InChIKeyJLMRLIHNDFKJDH-UHFFFAOYSA-N
XLogP4.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(1-bromonaphthalen-2-yl)oxyacetate
CID 4779140
methyl 3-(1-bromonaphthalen-2-yl)oxy-2,2-dimethylpropanoate
CID 79622787
[2-(methylamino)-2-oxoethyl] 2-(1-bromonaphthalen-2-yl)oxyacetate
CID 40627603
4-[2-(1-bromonaphthalen-2-yl)oxyacetyl]oxybenzoic acid
CID 54855272
(1-bromonaphthalen-2-yl) 2-(2-methoxyphenoxy)acetate
CID 7918561
methyl 3-[2-[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinyl]-3-oxopropanoate
CID 28638196
2-(1-bromonaphthalen-2-yl)oxy-N-(2-cyano-3-methylbutan-2-yl)acetamide
CID 112774909
3-[2-(1-bromonaphthalen-2-yl)oxyacetyl]oxybenzoic acid
CID 54855036
N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2,2,2-trifluoroacetohydrazide
CID 3955420
N-(2-acetamidophenyl)-2-(1-bromonaphthalen-2-yl)oxyacetamide
CID 1300372
2-(1-bromonaphthalen-2-yl)oxy-N-(2-methylpropyl)acetamide
CID 7642347
2-(1-bromonaphthalen-2-yl)oxy-N-[(E)-butan-2-ylideneamino]acetamide
CID 7269676

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(1-bromonaphthalen-2-yl)oxyacetate?
The IUPAC name of tert-butyl 2-(1-bromonaphthalen-2-yl)oxyacetate (CID 58522023) is tert-butyl 2-(1-bromonaphthalen-2-yl)oxyacetate.
What is the SMILES notation for tert-butyl 2-(1-bromonaphthalen-2-yl)oxyacetate?
The canonical SMILES for tert-butyl 2-(1-bromonaphthalen-2-yl)oxyacetate is CC(C)(C)OC(=O)COc1ccc2ccccc2c1Br.
What is the InChIKey of tert-butyl 2-(1-bromonaphthalen-2-yl)oxyacetate?
The InChIKey is JLMRLIHNDFKJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrO3/c1-16(2,3)20-14(18)10-19-13-9-8-11-6-4-5-7-12(11)15(13)17/h4-9H,10H2,1-3H3.
What are the key properties of tert-butyl 2-(1-bromonaphthalen-2-yl)oxyacetate?
tert-butyl 2-(1-bromonaphthalen-2-yl)oxyacetate has a molecular weight of 337.21 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(1-bromonaphthalen-2-yl)oxyacetate is sourced from PubChem (CID 58522023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).