[[(1E)-2-bromo-3-methylidenepenta-1,4-dienyl]-phenylphosphoryl]benzene

C18H16BrOP — CID 71536318

IUPAC[[(1E)-2-bromo-3-methylidenepenta-1,4-dienyl]-phenylphosphoryl]benzene
SMILESC=CC(=C)/C(Br)=C\P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H16BrOP/c1-3-15(2)18(19)14-21(20,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h3-14H,1-2H2/b18-14+
InChIKeyHJAHSICRIIHPME-NBVRZTHBSA-N
MW359.20 g/mol
LogP4.98
Rot. Bonds5

About [[(1E)-2-bromo-3-methylidenepenta-1,4-dienyl]-phenylphosphoryl]benzene

[[(1E)-2-bromo-3-methylidenepenta-1,4-dienyl]-phenylphosphoryl]benzene (PubChem CID 71536318) has the molecular formula C18H16BrOP and a molecular weight of 359.20 g/mol. Its IUPAC name is [[(1E)-2-bromo-3-methylidenepenta-1,4-dienyl]-phenylphosphoryl]benzene.

Molecular Properties

Compound Name[[(1E)-2-bromo-3-methylidenepenta-1,4-dienyl]-phenylphosphoryl]benzene
PubChem CID71536318
Molecular FormulaC18H16BrOP
Molecular Weight359.20 g/mol
Exact Mass358.01
IUPAC Name[[(1E)-2-bromo-3-methylidenepenta-1,4-dienyl]-phenylphosphoryl]benzene
SMILESC=CC(=C)/C(Br)=C\P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H16BrOP/c1-3-15(2)18(19)14-21(20,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h3-14H,1-2H2/b18-14+
InChIKeyHJAHSICRIIHPME-NBVRZTHBSA-N
XLogP4.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.20
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[[(1E)-2-iodo-3-methylidenepenta-1,4-dienyl]-phenylphosphoryl]benzene
CID 71536319
[[(1E)-2,5-dimethylhexa-1,5-dien-3-ynyl]-phenylphosphoryl]benzene
CID 11055886
(Z)-1-diphenylphosphoryl-3,3-dimethylbut-1-en-2-amine
CID 91998631
[(E)-1-diphenylphosphorylprop-1-en-2-yl]-diphenyl-sulfanylidene-λ5-phosphane
CID 54762904
diphenylphosphorylazanide
CID 18705552
[[(1E,3E)-4-diphenylphosphorylbuta-1,3-dienyl]-phenylphosphoryl]benzene
CID 102152479
diphenylphosphorylformaldehyde;styrene
CID 160785647
[chloro-[(Z)-2-chloroethenyl]phosphoryl]benzene
CID 23260967
CID 66766975
CID 66766975
dibromomethylidene(triphenyl)-λ5-phosphane
CID 11122938
phenylphosphonic acid;terbium
CID 175289814
phenylphosphonic acid;phosphane
CID 157219344

Frequently Asked Questions

What is the IUPAC name of [[(1E)-2-bromo-3-methylidenepenta-1,4-dienyl]-phenylphosphoryl]benzene?
The IUPAC name of [[(1E)-2-bromo-3-methylidenepenta-1,4-dienyl]-phenylphosphoryl]benzene (CID 71536318) is [[(1E)-2-bromo-3-methylidenepenta-1,4-dienyl]-phenylphosphoryl]benzene.
What is the SMILES notation for [[(1E)-2-bromo-3-methylidenepenta-1,4-dienyl]-phenylphosphoryl]benzene?
The canonical SMILES for [[(1E)-2-bromo-3-methylidenepenta-1,4-dienyl]-phenylphosphoryl]benzene is C=CC(=C)/C(Br)=C\P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [[(1E)-2-bromo-3-methylidenepenta-1,4-dienyl]-phenylphosphoryl]benzene?
The InChIKey is HJAHSICRIIHPME-NBVRZTHBSA-N. The full InChI is InChI=1S/C18H16BrOP/c1-3-15(2)18(19)14-21(20,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h3-14H,1-2H2/b18-14+.
What are the key properties of [[(1E)-2-bromo-3-methylidenepenta-1,4-dienyl]-phenylphosphoryl]benzene?
[[(1E)-2-bromo-3-methylidenepenta-1,4-dienyl]-phenylphosphoryl]benzene has a molecular weight of 359.20 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [[(1E)-2-bromo-3-methylidenepenta-1,4-dienyl]-phenylphosphoryl]benzene is sourced from PubChem (CID 71536318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).