(E)-1-(4-bromophenyl)dec-2-en-1-one

C16H21BrO — CID 122377174

IUPAC(E)-1-(4-bromophenyl)dec-2-en-1-one
SMILESCCCCCCC/C=C/C(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H21BrO/c1-2-3-4-5-6-7-8-9-16(18)14-10-12-15(17)13-11-14/h8-13H,2-7H2,1H3/b9-8+
InChIKeyYFAIELIVFIFONQ-CMDGGOBGSA-N
MW309.25 g/mol
LogP5.55
Rot. Bonds8

About (E)-1-(4-bromophenyl)dec-2-en-1-one

(E)-1-(4-bromophenyl)dec-2-en-1-one (PubChem CID 122377174) has the molecular formula C16H21BrO and a molecular weight of 309.25 g/mol. Its IUPAC name is (E)-1-(4-bromophenyl)dec-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-bromophenyl)dec-2-en-1-one
PubChem CID122377174
Molecular FormulaC16H21BrO
Molecular Weight309.25 g/mol
Exact Mass308.08
IUPAC Name(E)-1-(4-bromophenyl)dec-2-en-1-one
SMILESCCCCCCC/C=C/C(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H21BrO/c1-2-3-4-5-6-7-8-9-16(18)14-10-12-15(17)13-11-14/h8-13H,2-7H2,1H3/b9-8+
InChIKeyYFAIELIVFIFONQ-CMDGGOBGSA-N
XLogP5.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.25
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-1-(4-bromophenyl)dec-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-1-thiophen-3-ylnon-2-en-1-one
CID 68620021
(E)-1-(4-pyrrol-1-ylphenyl)hept-2-en-1-one
CID 19559153
(E)-1-(2-hydroxyphenyl)dodec-2-en-1-one
CID 14840067
1-bromo-4-[(E)-dec-1-enyl]benzene
CID 102523301
(E)-1-[4-(difluoromethoxy)phenyl]hept-2-en-1-one
CID 19542948
(E)-1-(4-aminophenyl)-7-(4-propylphenyl)hept-2-en-1-one
CID 142946353
8-hydroxy-1-phenyloct-2-en-1-one
CID 86086024
(E)-1-(4-bromophenyl)-3-(4-ethylphenyl)prop-2-en-1-one
CID 19541409
CID 175447632
CID 175447632
magnesium bis(dec-2-enoate)
CID 159853408
non-2-enoyl fluoride
CID 85320706
undec-2-enoic acid
CID 519180

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-bromophenyl)dec-2-en-1-one?
The IUPAC name of (E)-1-(4-bromophenyl)dec-2-en-1-one (CID 122377174) is (E)-1-(4-bromophenyl)dec-2-en-1-one.
What is the SMILES notation for (E)-1-(4-bromophenyl)dec-2-en-1-one?
The canonical SMILES for (E)-1-(4-bromophenyl)dec-2-en-1-one is CCCCCCC/C=C/C(=O)c1ccc(Br)cc1.
What is the InChIKey of (E)-1-(4-bromophenyl)dec-2-en-1-one?
The InChIKey is YFAIELIVFIFONQ-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H21BrO/c1-2-3-4-5-6-7-8-9-16(18)14-10-12-15(17)13-11-14/h8-13H,2-7H2,1H3/b9-8+.
What are the key properties of (E)-1-(4-bromophenyl)dec-2-en-1-one?
(E)-1-(4-bromophenyl)dec-2-en-1-one has a molecular weight of 309.25 g/mol, XLogP of 5.55, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-bromophenyl)dec-2-en-1-one is sourced from PubChem (CID 122377174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).