8-bromo-5-ethoxy-3,4-dihydro-2H-naphthalen-1-one

C12H13BrO2 — CID 62732048

IUPAC8-bromo-5-ethoxy-3,4-dihydro-2H-naphthalen-1-one
SMILESCCOc1ccc(Br)c2c1CCCC2=O
InChIInChI=1S/C12H13BrO2/c1-2-15-11-7-6-9(13)12-8(11)4-3-5-10(12)14/h6-7H,2-5H2,1H3
InChIKeyZIXWVTDEHYMHDA-UHFFFAOYSA-N
MW269.14 g/mol
LogP3.37
Rot. Bonds2

About 8-bromo-5-ethoxy-3,4-dihydro-2H-naphthalen-1-one

8-bromo-5-ethoxy-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 62732048) has the molecular formula C12H13BrO2 and a molecular weight of 269.14 g/mol. Its IUPAC name is 8-bromo-5-ethoxy-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name8-bromo-5-ethoxy-3,4-dihydro-2H-naphthalen-1-one
PubChem CID62732048
Molecular FormulaC12H13BrO2
Molecular Weight269.14 g/mol
Exact Mass268.01
IUPAC Name8-bromo-5-ethoxy-3,4-dihydro-2H-naphthalen-1-one
SMILESCCOc1ccc(Br)c2c1CCCC2=O
InChIInChI=1S/C12H13BrO2/c1-2-15-11-7-6-9(13)12-8(11)4-3-5-10(12)14/h6-7H,2-5H2,1H3
InChIKeyZIXWVTDEHYMHDA-UHFFFAOYSA-N
XLogP3.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-5-ethoxy-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 8-bromo-5-ethoxy-3,4-dihydro-2H-naphthalen-1-one (CID 62732048) is 8-bromo-5-ethoxy-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 8-bromo-5-ethoxy-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 8-bromo-5-ethoxy-3,4-dihydro-2H-naphthalen-1-one is CCOc1ccc(Br)c2c1CCCC2=O.
What is the InChIKey of 8-bromo-5-ethoxy-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is ZIXWVTDEHYMHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrO2/c1-2-15-11-7-6-9(13)12-8(11)4-3-5-10(12)14/h6-7H,2-5H2,1H3.
What are the key properties of 8-bromo-5-ethoxy-3,4-dihydro-2H-naphthalen-1-one?
8-bromo-5-ethoxy-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 269.14 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-5-ethoxy-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 62732048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).