2-(2-bromophenyl)-2,3-dihydropyran-6-one

C11H9BrO2 — CID 54756664

IUPAC2-(2-bromophenyl)-2,3-dihydropyran-6-one
SMILESO=C1C=CCC(c2ccccc2Br)O1
InChIInChI=1S/C11H9BrO2/c12-9-5-2-1-4-8(9)10-6-3-7-11(13)14-10/h1-5,7,10H,6H2
InChIKeyMMMZEZGABZIJCI-UHFFFAOYSA-N
MW253.09 g/mol
LogP2.99
Rot. Bonds1

About 2-(2-bromophenyl)-2,3-dihydropyran-6-one

2-(2-bromophenyl)-2,3-dihydropyran-6-one (PubChem CID 54756664) has the molecular formula C11H9BrO2 and a molecular weight of 253.09 g/mol. Its IUPAC name is 2-(2-bromophenyl)-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name2-(2-bromophenyl)-2,3-dihydropyran-6-one
PubChem CID54756664
Molecular FormulaC11H9BrO2
Molecular Weight253.09 g/mol
Exact Mass251.98
IUPAC Name2-(2-bromophenyl)-2,3-dihydropyran-6-one
SMILESO=C1C=CCC(c2ccccc2Br)O1
InChIInChI=1S/C11H9BrO2/c12-9-5-2-1-4-8(9)10-6-3-7-11(13)14-10/h1-5,7,10H,6H2
InChIKeyMMMZEZGABZIJCI-UHFFFAOYSA-N
XLogP2.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.09
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 56668686
(5S)-5-(2-bromophenyl)-2-methyl-4,5-dihydro-1,3-oxazole
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(4R)-2-(2-bromophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104946116
2-(2-bromophenyl)-1,3-dioxole-4-carbaldehyde
CID 87202410
(2R)-2-[(2R,3R)-3-phenyloxiran-2-yl]-2,3-dihydropyran-6-one
CID 11206694
4-(2-bromophenyl)pyrrolidine-2-carbaldehyde
CID 174983448
2-(2-bromophenyl)-1,4,7,10-tetraoxacyclododecane
CID 619658
1-bromo-2-(3-fluorocyclobutyl)benzene
CID 115036967
4-(2-bromophenyl)-6-methyl-3-methylideneoxan-2-one
CID 134970968
2-[(1R)-1,2-dihydroxy-2-phenylethyl]-2,3-dihydropyran-6-one
CID 118584259

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-2,3-dihydropyran-6-one?
The IUPAC name of 2-(2-bromophenyl)-2,3-dihydropyran-6-one (CID 54756664) is 2-(2-bromophenyl)-2,3-dihydropyran-6-one.
What is the SMILES notation for 2-(2-bromophenyl)-2,3-dihydropyran-6-one?
The canonical SMILES for 2-(2-bromophenyl)-2,3-dihydropyran-6-one is O=C1C=CCC(c2ccccc2Br)O1.
What is the InChIKey of 2-(2-bromophenyl)-2,3-dihydropyran-6-one?
The InChIKey is MMMZEZGABZIJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrO2/c12-9-5-2-1-4-8(9)10-6-3-7-11(13)14-10/h1-5,7,10H,6H2.
What are the key properties of 2-(2-bromophenyl)-2,3-dihydropyran-6-one?
2-(2-bromophenyl)-2,3-dihydropyran-6-one has a molecular weight of 253.09 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-2,3-dihydropyran-6-one is sourced from PubChem (CID 54756664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).