2-bromo-1-(4H-chromen-2-yl)ethanone

C11H9BrO2 — CID 91619660

IUPAC2-bromo-1-(4H-chromen-2-yl)ethanone
SMILESO=C(CBr)C1=CCc2ccccc2O1
InChIInChI=1S/C11H9BrO2/c12-7-9(13)11-6-5-8-3-1-2-4-10(8)14-11/h1-4,6H,5,7H2
InChIKeyADJDCZNCQYZRDT-UHFFFAOYSA-N
MW253.09 g/mol
LogP2.47
Rot. Bonds2

About 2-bromo-1-(4H-chromen-2-yl)ethanone

2-bromo-1-(4H-chromen-2-yl)ethanone (PubChem CID 91619660) has the molecular formula C11H9BrO2 and a molecular weight of 253.09 g/mol. Its IUPAC name is 2-bromo-1-(4H-chromen-2-yl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(4H-chromen-2-yl)ethanone
PubChem CID91619660
Molecular FormulaC11H9BrO2
Molecular Weight253.09 g/mol
Exact Mass251.98
IUPAC Name2-bromo-1-(4H-chromen-2-yl)ethanone
SMILESO=C(CBr)C1=CCc2ccccc2O1
InChIInChI=1S/C11H9BrO2/c12-7-9(13)11-6-5-8-3-1-2-4-10(8)14-11/h1-4,6H,5,7H2
InChIKeyADJDCZNCQYZRDT-UHFFFAOYSA-N
XLogP2.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.09
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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CID 66790877
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CID 54487048
2-(4-bromophenyl)-4H-chromene
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ethyl 3-(4H-chromen-2-yl)-2-hydroxypropanoate
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2-isocyanato-4H-chromene
CID 23371908
2-naphthalen-1-yl-4H-chromene
CID 102038001
3H-1-benzofuran-2-one;2-(2-hydroxyphenyl)acetic acid
CID 159563483
2,3-diethyl-9H-xanthene
CID 174888406
9H-xanthene
CID 7107
12,14-dihydrochromeno[3,2-b]xanthene;ethane;methanol
CID 160728687
2-bromo-1-phenylethanone;hydrochloride
CID 172844250
sulfuric acid;9H-xanthene
CID 69337657

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(4H-chromen-2-yl)ethanone?
The IUPAC name of 2-bromo-1-(4H-chromen-2-yl)ethanone (CID 91619660) is 2-bromo-1-(4H-chromen-2-yl)ethanone.
What is the SMILES notation for 2-bromo-1-(4H-chromen-2-yl)ethanone?
The canonical SMILES for 2-bromo-1-(4H-chromen-2-yl)ethanone is O=C(CBr)C1=CCc2ccccc2O1.
What is the InChIKey of 2-bromo-1-(4H-chromen-2-yl)ethanone?
The InChIKey is ADJDCZNCQYZRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrO2/c12-7-9(13)11-6-5-8-3-1-2-4-10(8)14-11/h1-4,6H,5,7H2.
What are the key properties of 2-bromo-1-(4H-chromen-2-yl)ethanone?
2-bromo-1-(4H-chromen-2-yl)ethanone has a molecular weight of 253.09 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(4H-chromen-2-yl)ethanone is sourced from PubChem (CID 91619660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).