ethyl 2-(4-bromonaphthalen-1-yl)acetate

C14H13BrO2 — CID 71266392

IUPACethyl 2-(4-bromonaphthalen-1-yl)acetate
SMILESCCOC(=O)Cc1ccc(Br)c2ccccc12
InChIInChI=1S/C14H13BrO2/c1-2-17-14(16)9-10-7-8-13(15)12-6-4-3-5-11(10)12/h3-8H,2,9H2,1H3
InChIKeyMSJGJEKWFOPWBM-UHFFFAOYSA-N
MW293.16 g/mol
LogP3.71
Rot. Bonds3

About ethyl 2-(4-bromonaphthalen-1-yl)acetate

ethyl 2-(4-bromonaphthalen-1-yl)acetate (PubChem CID 71266392) has the molecular formula C14H13BrO2 and a molecular weight of 293.16 g/mol. Its IUPAC name is ethyl 2-(4-bromonaphthalen-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-bromonaphthalen-1-yl)acetate
PubChem CID71266392
Molecular FormulaC14H13BrO2
Molecular Weight293.16 g/mol
Exact Mass292.01
IUPAC Nameethyl 2-(4-bromonaphthalen-1-yl)acetate
SMILESCCOC(=O)Cc1ccc(Br)c2ccccc12
InChIInChI=1S/C14H13BrO2/c1-2-17-14(16)9-10-7-8-13(15)12-6-4-3-5-11(10)12/h3-8H,2,9H2,1H3
InChIKeyMSJGJEKWFOPWBM-UHFFFAOYSA-N
XLogP3.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-bromonaphthalen-1-yl)acetate?
The IUPAC name of ethyl 2-(4-bromonaphthalen-1-yl)acetate (CID 71266392) is ethyl 2-(4-bromonaphthalen-1-yl)acetate.
What is the SMILES notation for ethyl 2-(4-bromonaphthalen-1-yl)acetate?
The canonical SMILES for ethyl 2-(4-bromonaphthalen-1-yl)acetate is CCOC(=O)Cc1ccc(Br)c2ccccc12.
What is the InChIKey of ethyl 2-(4-bromonaphthalen-1-yl)acetate?
The InChIKey is MSJGJEKWFOPWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO2/c1-2-17-14(16)9-10-7-8-13(15)12-6-4-3-5-11(10)12/h3-8H,2,9H2,1H3.
What are the key properties of ethyl 2-(4-bromonaphthalen-1-yl)acetate?
ethyl 2-(4-bromonaphthalen-1-yl)acetate has a molecular weight of 293.16 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-bromonaphthalen-1-yl)acetate is sourced from PubChem (CID 71266392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).