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

C13H11BrO2 — CID 54318770

IUPACmethyl 2-(2-bromonaphthalen-1-yl)acetate
SMILESCOC(=O)Cc1c(Br)ccc2ccccc12
InChIInChI=1S/C13H11BrO2/c1-16-13(15)8-11-10-5-3-2-4-9(10)6-7-12(11)14/h2-7H,8H2,1H3
InChIKeySQCSEERVCUQXOG-UHFFFAOYSA-N
MW279.13 g/mol
LogP3.32
Rot. Bonds2

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

methyl 2-(2-bromonaphthalen-1-yl)acetate (PubChem CID 54318770) has the molecular formula C13H11BrO2 and a molecular weight of 279.13 g/mol. Its IUPAC name is methyl 2-(2-bromonaphthalen-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-bromonaphthalen-1-yl)acetate
PubChem CID54318770
Molecular FormulaC13H11BrO2
Molecular Weight279.13 g/mol
Exact Mass277.99
IUPAC Namemethyl 2-(2-bromonaphthalen-1-yl)acetate
SMILESCOC(=O)Cc1c(Br)ccc2ccccc12
InChIInChI=1S/C13H11BrO2/c1-16-13(15)8-11-10-5-3-2-4-9(10)6-7-12(11)14/h2-7H,8H2,1H3
InChIKeySQCSEERVCUQXOG-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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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-bromonaphthalen-1-yl)acetate?
The IUPAC name of methyl 2-(2-bromonaphthalen-1-yl)acetate (CID 54318770) is methyl 2-(2-bromonaphthalen-1-yl)acetate.
What is the SMILES notation for methyl 2-(2-bromonaphthalen-1-yl)acetate?
The canonical SMILES for methyl 2-(2-bromonaphthalen-1-yl)acetate is COC(=O)Cc1c(Br)ccc2ccccc12.
What is the InChIKey of methyl 2-(2-bromonaphthalen-1-yl)acetate?
The InChIKey is SQCSEERVCUQXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrO2/c1-16-13(15)8-11-10-5-3-2-4-9(10)6-7-12(11)14/h2-7H,8H2,1H3.
What are the key properties of methyl 2-(2-bromonaphthalen-1-yl)acetate?
methyl 2-(2-bromonaphthalen-1-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-(2-bromonaphthalen-1-yl)acetate is sourced from PubChem (CID 54318770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).