(4-bromonaphthalen-1-yl)-cyclobutylmethanone

C15H13BrO — CID 79596781

IUPAC(4-bromonaphthalen-1-yl)-cyclobutylmethanone
SMILESO=C(c1ccc(Br)c2ccccc12)C1CCC1
InChIInChI=1S/C15H13BrO/c16-14-9-8-13(15(17)10-4-3-5-10)11-6-1-2-7-12(11)14/h1-2,6-10H,3-5H2
InChIKeyYNUHJTBJRGKETH-UHFFFAOYSA-N
MW289.17 g/mol
LogP4.59
Rot. Bonds2

About (4-bromonaphthalen-1-yl)-cyclobutylmethanone

(4-bromonaphthalen-1-yl)-cyclobutylmethanone (PubChem CID 79596781) has the molecular formula C15H13BrO and a molecular weight of 289.17 g/mol. Its IUPAC name is (4-bromonaphthalen-1-yl)-cyclobutylmethanone.

Molecular Properties

Compound Name(4-bromonaphthalen-1-yl)-cyclobutylmethanone
PubChem CID79596781
Molecular FormulaC15H13BrO
Molecular Weight289.17 g/mol
Exact Mass288.01
IUPAC Name(4-bromonaphthalen-1-yl)-cyclobutylmethanone
SMILESO=C(c1ccc(Br)c2ccccc12)C1CCC1
InChIInChI=1S/C15H13BrO/c16-14-9-8-13(15(17)10-4-3-5-10)11-6-1-2-7-12(11)14/h1-2,6-10H,3-5H2
InChIKeyYNUHJTBJRGKETH-UHFFFAOYSA-N
XLogP4.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-bromonaphthalen-1-yl)-cyclobutylmethanone?
The IUPAC name of (4-bromonaphthalen-1-yl)-cyclobutylmethanone (CID 79596781) is (4-bromonaphthalen-1-yl)-cyclobutylmethanone.
What is the SMILES notation for (4-bromonaphthalen-1-yl)-cyclobutylmethanone?
The canonical SMILES for (4-bromonaphthalen-1-yl)-cyclobutylmethanone is O=C(c1ccc(Br)c2ccccc12)C1CCC1.
What is the InChIKey of (4-bromonaphthalen-1-yl)-cyclobutylmethanone?
The InChIKey is YNUHJTBJRGKETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO/c16-14-9-8-13(15(17)10-4-3-5-10)11-6-1-2-7-12(11)14/h1-2,6-10H,3-5H2.
What are the key properties of (4-bromonaphthalen-1-yl)-cyclobutylmethanone?
(4-bromonaphthalen-1-yl)-cyclobutylmethanone has a molecular weight of 289.17 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromonaphthalen-1-yl)-cyclobutylmethanone is sourced from PubChem (CID 79596781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).