1-(4-bromophenyl)-2-(2-prop-1-enylphenoxy)ethanone

C17H15BrO2 — CID 76999454

IUPAC1-(4-bromophenyl)-2-(2-prop-1-enylphenoxy)ethanone
SMILESCC=Cc1ccccc1OCC(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H15BrO2/c1-2-5-14-6-3-4-7-17(14)20-12-16(19)13-8-10-15(18)11-9-13/h2-11H,12H2,1H3
InChIKeyAULFPJZRJOHMFM-UHFFFAOYSA-N
MW331.21 g/mol
LogP4.74
Rot. Bonds5

About 1-(4-bromophenyl)-2-(2-prop-1-enylphenoxy)ethanone

1-(4-bromophenyl)-2-(2-prop-1-enylphenoxy)ethanone (PubChem CID 76999454) has the molecular formula C17H15BrO2 and a molecular weight of 331.21 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(2-prop-1-enylphenoxy)ethanone.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(2-prop-1-enylphenoxy)ethanone
PubChem CID76999454
Molecular FormulaC17H15BrO2
Molecular Weight331.21 g/mol
Exact Mass330.03
IUPAC Name1-(4-bromophenyl)-2-(2-prop-1-enylphenoxy)ethanone
SMILESCC=Cc1ccccc1OCC(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H15BrO2/c1-2-5-14-6-3-4-7-17(14)20-12-16(19)13-8-10-15(18)11-9-13/h2-11H,12H2,1H3
InChIKeyAULFPJZRJOHMFM-UHFFFAOYSA-N
XLogP4.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-2-[2-[(E)-prop-1-enyl]phenoxy]ethanone
CID 63566014
1-(3,4-dichlorophenyl)-2-(2-prop-1-enylphenoxy)ethanone
CID 76999455
1-(4-bromophenyl)-2-(2,6-dimethoxyphenoxy)ethanone
CID 43799628
1-cyclopentyl-2-[2-[(E)-prop-1-enyl]phenoxy]ethanone
CID 113449018
2-(2-bromophenoxy)-1-(4-fluorophenyl)ethanone
CID 10638587
4-(2-prop-1-enylphenoxy)but-2-enoic acid
CID 76940552
2,2-dimethyl-3-(2-prop-1-enylphenoxy)propanehydrazide
CID 79626134
1-(4-bromophenyl)-2-(4-phenylphenoxy)ethanone
CID 4309178
1-(4-chlorobutoxy)-2-prop-1-enylbenzene
CID 76919134
ethane;1-prop-1-enyl-2-propoxybenzene
CID 91525443
(2-phenacyloxyphenyl) acetate
CID 2303836
(4-bromophenyl) (E)-3-(2-propoxyphenyl)prop-2-enoate
CID 19207692

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(2-prop-1-enylphenoxy)ethanone?
The IUPAC name of 1-(4-bromophenyl)-2-(2-prop-1-enylphenoxy)ethanone (CID 76999454) is 1-(4-bromophenyl)-2-(2-prop-1-enylphenoxy)ethanone.
What is the SMILES notation for 1-(4-bromophenyl)-2-(2-prop-1-enylphenoxy)ethanone?
The canonical SMILES for 1-(4-bromophenyl)-2-(2-prop-1-enylphenoxy)ethanone is CC=Cc1ccccc1OCC(=O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-(2-prop-1-enylphenoxy)ethanone?
The InChIKey is AULFPJZRJOHMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrO2/c1-2-5-14-6-3-4-7-17(14)20-12-16(19)13-8-10-15(18)11-9-13/h2-11H,12H2,1H3.
What are the key properties of 1-(4-bromophenyl)-2-(2-prop-1-enylphenoxy)ethanone?
1-(4-bromophenyl)-2-(2-prop-1-enylphenoxy)ethanone has a molecular weight of 331.21 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-(2-prop-1-enylphenoxy)ethanone is sourced from PubChem (CID 76999454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).