[(1E,3E)-3-chloro-4-dichlorophosphorylbuta-1,3-dienyl]benzene

C10H8Cl3OP — CID 11243005

IUPAC[(1E,3E)-3-chloro-4-dichlorophosphorylbuta-1,3-dienyl]benzene
SMILESO=P(Cl)(Cl)/C=C(Cl)\C=C\c1ccccc1
InChIInChI=1S/C10H8Cl3OP/c11-10(8-15(12,13)14)7-6-9-4-2-1-3-5-9/h1-8H/b7-6+,10-8+
InChIKeySWTFTZHBMVKKMU-LQPGMRSMSA-N
MW281.51 g/mol
LogP5.45
Rot. Bonds3

About [(1E,3E)-3-chloro-4-dichlorophosphorylbuta-1,3-dienyl]benzene

[(1E,3E)-3-chloro-4-dichlorophosphorylbuta-1,3-dienyl]benzene (PubChem CID 11243005) has the molecular formula C10H8Cl3OP and a molecular weight of 281.51 g/mol. Its IUPAC name is [(1E,3E)-3-chloro-4-dichlorophosphorylbuta-1,3-dienyl]benzene.

Molecular Properties

Compound Name[(1E,3E)-3-chloro-4-dichlorophosphorylbuta-1,3-dienyl]benzene
PubChem CID11243005
Molecular FormulaC10H8Cl3OP
Molecular Weight281.51 g/mol
Exact Mass279.94
IUPAC Name[(1E,3E)-3-chloro-4-dichlorophosphorylbuta-1,3-dienyl]benzene
SMILESO=P(Cl)(Cl)/C=C(Cl)\C=C\c1ccccc1
InChIInChI=1S/C10H8Cl3OP/c11-10(8-15(12,13)14)7-6-9-4-2-1-3-5-9/h1-8H/b7-6+,10-8+
InChIKeySWTFTZHBMVKKMU-LQPGMRSMSA-N
XLogP5.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.51
LogP ≤ 55.45
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

trichloro-[(1E,3E)-2-chloro-4-phenylbuta-1,3-dienyl]phosphanium
CID 11353285
(Z)-3-phenylprop-2-enoic acid
CID 5372954
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
CID 157206787
carbanide;bis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);palladium(2+)
CID 161273372
bis((E)-3-phenylprop-2-enoic acid);zinc
CID 11291345
3-phenylprop-2-enoic acid;hydrobromide
CID 172826551
azane;1,5-diphenylpenta-1,4-dien-3-one
CID 172776077
(1Z,4Z)-1,5-diphenylpenta-1,4-dien-3-one;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;palladium
CID 154825040
1,5-diphenylpenta-1,4-dien-3-one;hydrochloride
CID 70139846
3-phenylprop-2-enoic acid;hydrofluoride
CID 159150390
tris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);bis(palladium)
CID 140752753
CID 131855579
CID 131855579

Frequently Asked Questions

What is the IUPAC name of [(1E,3E)-3-chloro-4-dichlorophosphorylbuta-1,3-dienyl]benzene?
The IUPAC name of [(1E,3E)-3-chloro-4-dichlorophosphorylbuta-1,3-dienyl]benzene (CID 11243005) is [(1E,3E)-3-chloro-4-dichlorophosphorylbuta-1,3-dienyl]benzene.
What is the SMILES notation for [(1E,3E)-3-chloro-4-dichlorophosphorylbuta-1,3-dienyl]benzene?
The canonical SMILES for [(1E,3E)-3-chloro-4-dichlorophosphorylbuta-1,3-dienyl]benzene is O=P(Cl)(Cl)/C=C(Cl)\C=C\c1ccccc1.
What is the InChIKey of [(1E,3E)-3-chloro-4-dichlorophosphorylbuta-1,3-dienyl]benzene?
The InChIKey is SWTFTZHBMVKKMU-LQPGMRSMSA-N. The full InChI is InChI=1S/C10H8Cl3OP/c11-10(8-15(12,13)14)7-6-9-4-2-1-3-5-9/h1-8H/b7-6+,10-8+.
What are the key properties of [(1E,3E)-3-chloro-4-dichlorophosphorylbuta-1,3-dienyl]benzene?
[(1E,3E)-3-chloro-4-dichlorophosphorylbuta-1,3-dienyl]benzene has a molecular weight of 281.51 g/mol, XLogP of 5.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,3E)-3-chloro-4-dichlorophosphorylbuta-1,3-dienyl]benzene is sourced from PubChem (CID 11243005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).