1-bromonaphthalene;ethyl acetate

C14H15BrO2 — CID 174701455

IUPAC1-bromonaphthalene;ethyl acetate
SMILESBrc1cccc2ccccc12.CCOC(C)=O
InChIInChI=1S/C10H7Br.C4H8O2/c11-10-7-3-5-8-4-1-2-6-9(8)10;1-3-6-4(2)5/h1-7H;3H2,1-2H3
InChIKeyKNOAZXVHLIKASY-UHFFFAOYSA-N
MW295.18 g/mol
LogP4.17
Rot. Bonds1

About 1-bromonaphthalene;ethyl acetate

1-bromonaphthalene;ethyl acetate (PubChem CID 174701455) has the molecular formula C14H15BrO2 and a molecular weight of 295.18 g/mol. Its IUPAC name is 1-bromonaphthalene;ethyl acetate.

Molecular Properties

Compound Name1-bromonaphthalene;ethyl acetate
PubChem CID174701455
Molecular FormulaC14H15BrO2
Molecular Weight295.18 g/mol
Exact Mass294.03
IUPAC Name1-bromonaphthalene;ethyl acetate
SMILESBrc1cccc2ccccc12.CCOC(C)=O
InChIInChI=1S/C10H7Br.C4H8O2/c11-10-7-3-5-8-4-1-2-6-9(8)10;1-3-6-4(2)5/h1-7H;3H2,1-2H3
InChIKeyKNOAZXVHLIKASY-UHFFFAOYSA-N
XLogP4.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-bromonaphthalene;ethyl acetate?
The IUPAC name of 1-bromonaphthalene;ethyl acetate (CID 174701455) is 1-bromonaphthalene;ethyl acetate.
What is the SMILES notation for 1-bromonaphthalene;ethyl acetate?
The canonical SMILES for 1-bromonaphthalene;ethyl acetate is Brc1cccc2ccccc12.CCOC(C)=O.
What is the InChIKey of 1-bromonaphthalene;ethyl acetate?
The InChIKey is KNOAZXVHLIKASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Br.C4H8O2/c11-10-7-3-5-8-4-1-2-6-9(8)10;1-3-6-4(2)5/h1-7H;3H2,1-2H3.
What are the key properties of 1-bromonaphthalene;ethyl acetate?
1-bromonaphthalene;ethyl acetate has a molecular weight of 295.18 g/mol, XLogP of 4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromonaphthalene;ethyl acetate is sourced from PubChem (CID 174701455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).