(7-bromo-3,4-dihydronaphthalen-1-yl) acetate

C12H11BrO2 — CID 143237438

IUPAC(7-bromo-3,4-dihydronaphthalen-1-yl) acetate
SMILESCC(=O)OC1=CCCc2ccc(Br)cc21
InChIInChI=1S/C12H11BrO2/c1-8(14)15-12-4-2-3-9-5-6-10(13)7-11(9)12/h4-7H,2-3H2,1H3
InChIKeyVNUPIXCNHNLUEK-UHFFFAOYSA-N
MW267.12 g/mol
LogP3.30
Rot. Bonds1

About (7-bromo-3,4-dihydronaphthalen-1-yl) acetate

(7-bromo-3,4-dihydronaphthalen-1-yl) acetate (PubChem CID 143237438) has the molecular formula C12H11BrO2 and a molecular weight of 267.12 g/mol. Its IUPAC name is (7-bromo-3,4-dihydronaphthalen-1-yl) acetate.

Molecular Properties

Compound Name(7-bromo-3,4-dihydronaphthalen-1-yl) acetate
PubChem CID143237438
Molecular FormulaC12H11BrO2
Molecular Weight267.12 g/mol
Exact Mass265.99
IUPAC Name(7-bromo-3,4-dihydronaphthalen-1-yl) acetate
SMILESCC(=O)OC1=CCCc2ccc(Br)cc21
InChIInChI=1S/C12H11BrO2/c1-8(14)15-12-4-2-3-9-5-6-10(13)7-11(9)12/h4-7H,2-3H2,1H3
InChIKeyVNUPIXCNHNLUEK-UHFFFAOYSA-N
XLogP3.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.12
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7-bromo-3,4-dihydronaphthalen-1-yl) acetate?
The IUPAC name of (7-bromo-3,4-dihydronaphthalen-1-yl) acetate (CID 143237438) is (7-bromo-3,4-dihydronaphthalen-1-yl) acetate.
What is the SMILES notation for (7-bromo-3,4-dihydronaphthalen-1-yl) acetate?
The canonical SMILES for (7-bromo-3,4-dihydronaphthalen-1-yl) acetate is CC(=O)OC1=CCCc2ccc(Br)cc21.
What is the InChIKey of (7-bromo-3,4-dihydronaphthalen-1-yl) acetate?
The InChIKey is VNUPIXCNHNLUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrO2/c1-8(14)15-12-4-2-3-9-5-6-10(13)7-11(9)12/h4-7H,2-3H2,1H3.
What are the key properties of (7-bromo-3,4-dihydronaphthalen-1-yl) acetate?
(7-bromo-3,4-dihydronaphthalen-1-yl) acetate has a molecular weight of 267.12 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-3,4-dihydronaphthalen-1-yl) acetate is sourced from PubChem (CID 143237438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).