2-(3-bromophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanone

C17H15BrO2 — CID 65408731

IUPAC2-(3-bromophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanone
SMILESO=C(Cc1cccc(Br)c1)C1CCOc2ccccc21
InChIInChI=1S/C17H15BrO2/c18-13-5-3-4-12(10-13)11-16(19)14-8-9-20-17-7-2-1-6-15(14)17/h1-7,10,14H,8-9,11H2
InChIKeyGMIIVNQZBZTUCJ-UHFFFAOYSA-N
MW331.21 g/mol
LogP4.13
Rot. Bonds3

About 2-(3-bromophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanone

2-(3-bromophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanone (PubChem CID 65408731) has the molecular formula C17H15BrO2 and a molecular weight of 331.21 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanone.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanone
PubChem CID65408731
Molecular FormulaC17H15BrO2
Molecular Weight331.21 g/mol
Exact Mass330.03
IUPAC Name2-(3-bromophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanone
SMILESO=C(Cc1cccc(Br)c1)C1CCOc2ccccc21
InChIInChI=1S/C17H15BrO2/c18-13-5-3-4-12(10-13)11-16(19)14-8-9-20-17-7-2-1-6-15(14)17/h1-7,10,14H,8-9,11H2
InChIKeyGMIIVNQZBZTUCJ-UHFFFAOYSA-N
XLogP4.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-chromen-4-yl)-3-(3-methylphenyl)propan-1-one
CID 63710119
1-(3,4-dihydro-2H-chromen-4-yl)-2-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]ethanone
CID 158116708
2-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-yl)ethanone
CID 63709217
1-(3,4-dihydro-2H-chromen-4-yl)-2-(5-ethylthiophen-2-yl)ethanone
CID 65407954
2-(2-chloro-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanone
CID 65408732
1-(3,4-dihydro-2H-chromen-4-yl)-4,4-dimethylpentan-1-one
CID 65409112
N-[3-(aminomethyl)phenyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 63710267
N-(2-phenylethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 110648358
1-(3,4-dihydro-2H-chromen-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 65407389
1,3-benzodioxol-5-yl(3,4-dihydro-2H-chromen-4-yl)methanone
CID 63709213
2-(3-bromophenyl)-1-(1,4-dioxan-2-yl)ethanone
CID 62803295
[4-(bromomethyl)piperidin-1-yl]-(3,4-dihydro-2H-chromen-4-yl)methanone
CID 80678666

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanone?
The IUPAC name of 2-(3-bromophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanone (CID 65408731) is 2-(3-bromophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanone.
What is the SMILES notation for 2-(3-bromophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanone?
The canonical SMILES for 2-(3-bromophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanone is O=C(Cc1cccc(Br)c1)C1CCOc2ccccc21.
What is the InChIKey of 2-(3-bromophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanone?
The InChIKey is GMIIVNQZBZTUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrO2/c18-13-5-3-4-12(10-13)11-16(19)14-8-9-20-17-7-2-1-6-15(14)17/h1-7,10,14H,8-9,11H2.
What are the key properties of 2-(3-bromophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanone?
2-(3-bromophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanone has a molecular weight of 331.21 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanone is sourced from PubChem (CID 65408731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).