(Z)-1-(3-bromophenyl)-3-ethylpent-3-en-2-one

C13H15BrO — CID 103447328

IUPAC(Z)-1-(3-bromophenyl)-3-ethylpent-3-en-2-one
SMILESC/C=C(/CC)C(=O)Cc1cccc(Br)c1
InChIInChI=1S/C13H15BrO/c1-3-11(4-2)13(15)9-10-6-5-7-12(14)8-10/h3,5-8H,4,9H2,1-2H3/b11-3-
InChIKeyAHODGYTUVBPPFK-JYOAFUTRSA-N
MW267.17 g/mol
LogP3.92
Rot. Bonds4

About (Z)-1-(3-bromophenyl)-3-ethylpent-3-en-2-one

(Z)-1-(3-bromophenyl)-3-ethylpent-3-en-2-one (PubChem CID 103447328) has the molecular formula C13H15BrO and a molecular weight of 267.17 g/mol. Its IUPAC name is (Z)-1-(3-bromophenyl)-3-ethylpent-3-en-2-one.

Molecular Properties

Compound Name(Z)-1-(3-bromophenyl)-3-ethylpent-3-en-2-one
PubChem CID103447328
Molecular FormulaC13H15BrO
Molecular Weight267.17 g/mol
Exact Mass266.03
IUPAC Name(Z)-1-(3-bromophenyl)-3-ethylpent-3-en-2-one
SMILESC/C=C(/CC)C(=O)Cc1cccc(Br)c1
InChIInChI=1S/C13H15BrO/c1-3-11(4-2)13(15)9-10-6-5-7-12(14)8-10/h3,5-8H,4,9H2,1-2H3/b11-3-
InChIKeyAHODGYTUVBPPFK-JYOAFUTRSA-N
XLogP3.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromophenyl)acetate
CID 3608673
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CID 11736027
2-(3-bromophenyl)-N-propylacetamide
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2-(3-bromophenyl)-1-(4-ethylphenyl)ethanone
CID 60797716
bromo 2-(3-bromophenyl)acetate
CID 174910278
1-(3-bromophenyl)-3-ethyl-3-methoxypentan-2-one
CID 116747441
1-(3-bromophenyl)-4-ethyl-3-hydroxyhexan-2-one
CID 103458379
2-(3-bromophenyl)-N-ethyl-N-(3-hydroxypropyl)acetamide
CID 115771726
2-(3-bromophenyl)-N-[2-(butylamino)-2-oxoethyl]acetamide
CID 112990659
iodo 2-(3-bromophenyl)acetate
CID 155449676
2-(3-bromophenyl)-N-[(2R)-pentan-2-yl]acetamide
CID 100699011
1-(3-bromophenyl)-3-(3,4-dimethylphenyl)propan-2-one
CID 55186208

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(3-bromophenyl)-3-ethylpent-3-en-2-one?
The IUPAC name of (Z)-1-(3-bromophenyl)-3-ethylpent-3-en-2-one (CID 103447328) is (Z)-1-(3-bromophenyl)-3-ethylpent-3-en-2-one.
What is the SMILES notation for (Z)-1-(3-bromophenyl)-3-ethylpent-3-en-2-one?
The canonical SMILES for (Z)-1-(3-bromophenyl)-3-ethylpent-3-en-2-one is C/C=C(/CC)C(=O)Cc1cccc(Br)c1.
What is the InChIKey of (Z)-1-(3-bromophenyl)-3-ethylpent-3-en-2-one?
The InChIKey is AHODGYTUVBPPFK-JYOAFUTRSA-N. The full InChI is InChI=1S/C13H15BrO/c1-3-11(4-2)13(15)9-10-6-5-7-12(14)8-10/h3,5-8H,4,9H2,1-2H3/b11-3-.
What are the key properties of (Z)-1-(3-bromophenyl)-3-ethylpent-3-en-2-one?
(Z)-1-(3-bromophenyl)-3-ethylpent-3-en-2-one has a molecular weight of 267.17 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(3-bromophenyl)-3-ethylpent-3-en-2-one is sourced from PubChem (CID 103447328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).