2-(3-bromophenyl)-1-(2-propoxyphenyl)ethanone

C17H17BrO2 — CID 104659158

IUPAC2-(3-bromophenyl)-1-(2-propoxyphenyl)ethanone
SMILESCCCOc1ccccc1C(=O)Cc1cccc(Br)c1
InChIInChI=1S/C17H17BrO2/c1-2-10-20-17-9-4-3-8-15(17)16(19)12-13-6-5-7-14(18)11-13/h3-9,11H,2,10,12H2,1H3
InChIKeyWYWKPKNSLUVKDD-UHFFFAOYSA-N
MW333.23 g/mol
LogP4.66
Rot. Bonds6

About 2-(3-bromophenyl)-1-(2-propoxyphenyl)ethanone

2-(3-bromophenyl)-1-(2-propoxyphenyl)ethanone (PubChem CID 104659158) has the molecular formula C17H17BrO2 and a molecular weight of 333.23 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(2-propoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(2-propoxyphenyl)ethanone
PubChem CID104659158
Molecular FormulaC17H17BrO2
Molecular Weight333.23 g/mol
Exact Mass332.04
IUPAC Name2-(3-bromophenyl)-1-(2-propoxyphenyl)ethanone
SMILESCCCOc1ccccc1C(=O)Cc1cccc(Br)c1
InChIInChI=1S/C17H17BrO2/c1-2-10-20-17-9-4-3-8-15(17)16(19)12-13-6-5-7-14(18)11-13/h3-9,11H,2,10,12H2,1H3
InChIKeyWYWKPKNSLUVKDD-UHFFFAOYSA-N
XLogP4.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-1-(3-bromo-4-propoxyphenyl)ethanone
CID 104657086
1-(2-propoxyphenyl)-2-pyridin-3-ylethanone
CID 113438197
2-[(3-bromophenyl)methoxy]-1-(2-ethoxyphenyl)ethanone
CID 82808702
2-(4-bromophenyl)-1-(2-ethoxyphenyl)ethanone
CID 61056257
3-(3-methylphenyl)-1-(2-propoxyphenyl)propan-1-one
CID 105128641
2-(3-bromophenyl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 106790334
2-(3-bromophenyl)-1-(2-methoxy-3-pyridinyl)ethanone
CID 105079137
2-(4-bromophenyl)sulfanyl-1-(2-propoxyphenyl)ethanone
CID 104659319
1-(5-bromo-2-phenylmethoxyphenyl)-2-(3-ethylphenyl)ethanone
CID 161238238
1-(2,3-dibutoxyphenyl)-2-phenylethanone
CID 70572932
1-[2-(2-aminoethyl)phenyl]-2-(3-bromophenyl)ethanone
CID 116577493
(3-bromo-5-methylphenyl)-(2-propoxyphenyl)methanone
CID 115800762

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(2-propoxyphenyl)ethanone?
The IUPAC name of 2-(3-bromophenyl)-1-(2-propoxyphenyl)ethanone (CID 104659158) is 2-(3-bromophenyl)-1-(2-propoxyphenyl)ethanone.
What is the SMILES notation for 2-(3-bromophenyl)-1-(2-propoxyphenyl)ethanone?
The canonical SMILES for 2-(3-bromophenyl)-1-(2-propoxyphenyl)ethanone is CCCOc1ccccc1C(=O)Cc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-1-(2-propoxyphenyl)ethanone?
The InChIKey is WYWKPKNSLUVKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO2/c1-2-10-20-17-9-4-3-8-15(17)16(19)12-13-6-5-7-14(18)11-13/h3-9,11H,2,10,12H2,1H3.
What are the key properties of 2-(3-bromophenyl)-1-(2-propoxyphenyl)ethanone?
2-(3-bromophenyl)-1-(2-propoxyphenyl)ethanone has a molecular weight of 333.23 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-(2-propoxyphenyl)ethanone is sourced from PubChem (CID 104659158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).