(2-bromo-6-chlorophenyl)-(oxolan-2-yl)methanone

C11H10BrClO2 — CID 130505775

IUPAC(2-bromo-6-chlorophenyl)-(oxolan-2-yl)methanone
SMILESO=C(c1c(Cl)cccc1Br)C1CCCO1
InChIInChI=1S/C11H10BrClO2/c12-7-3-1-4-8(13)10(7)11(14)9-5-2-6-15-9/h1,3-4,9H,2,5-6H2
InChIKeyQSSZBAMRSBMCDS-UHFFFAOYSA-N
MW289.56 g/mol
LogP3.46
Rot. Bonds2

About (2-bromo-6-chlorophenyl)-(oxolan-2-yl)methanone

(2-bromo-6-chlorophenyl)-(oxolan-2-yl)methanone (PubChem CID 130505775) has the molecular formula C11H10BrClO2 and a molecular weight of 289.56 g/mol. Its IUPAC name is (2-bromo-6-chlorophenyl)-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name(2-bromo-6-chlorophenyl)-(oxolan-2-yl)methanone
PubChem CID130505775
Molecular FormulaC11H10BrClO2
Molecular Weight289.56 g/mol
Exact Mass287.96
IUPAC Name(2-bromo-6-chlorophenyl)-(oxolan-2-yl)methanone
SMILESO=C(c1c(Cl)cccc1Br)C1CCCO1
InChIInChI=1S/C11H10BrClO2/c12-7-3-1-4-8(13)10(7)11(14)9-5-2-6-15-9/h1,3-4,9H,2,5-6H2
InChIKeyQSSZBAMRSBMCDS-UHFFFAOYSA-N
XLogP3.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.56
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-bromo-6-chlorophenyl)-(oxolan-2-yl)methanone?
The IUPAC name of (2-bromo-6-chlorophenyl)-(oxolan-2-yl)methanone (CID 130505775) is (2-bromo-6-chlorophenyl)-(oxolan-2-yl)methanone.
What is the SMILES notation for (2-bromo-6-chlorophenyl)-(oxolan-2-yl)methanone?
The canonical SMILES for (2-bromo-6-chlorophenyl)-(oxolan-2-yl)methanone is O=C(c1c(Cl)cccc1Br)C1CCCO1.
What is the InChIKey of (2-bromo-6-chlorophenyl)-(oxolan-2-yl)methanone?
The InChIKey is QSSZBAMRSBMCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClO2/c12-7-3-1-4-8(13)10(7)11(14)9-5-2-6-15-9/h1,3-4,9H,2,5-6H2.
What are the key properties of (2-bromo-6-chlorophenyl)-(oxolan-2-yl)methanone?
(2-bromo-6-chlorophenyl)-(oxolan-2-yl)methanone has a molecular weight of 289.56 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-6-chlorophenyl)-(oxolan-2-yl)methanone is sourced from PubChem (CID 130505775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).