2,4-dichloro-1-[(E)-2-diphenylphosphorylethenyl]benzene

C20H15Cl2OP — CID 162401523

IUPAC2,4-dichloro-1-[(E)-2-diphenylphosphorylethenyl]benzene
SMILESO=P(/C=C/c1ccc(Cl)cc1Cl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H15Cl2OP/c21-17-12-11-16(20(22)15-17)13-14-24(23,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-15H/b14-13+
InChIKeyWJCJFTBTQOROCI-BUHFOSPRSA-N
MW373.22 g/mol
LogP5.98
Rot. Bonds4

About 2,4-dichloro-1-[(E)-2-diphenylphosphorylethenyl]benzene

2,4-dichloro-1-[(E)-2-diphenylphosphorylethenyl]benzene (PubChem CID 162401523) has the molecular formula C20H15Cl2OP and a molecular weight of 373.22 g/mol. Its IUPAC name is 2,4-dichloro-1-[(E)-2-diphenylphosphorylethenyl]benzene.

Molecular Properties

Compound Name2,4-dichloro-1-[(E)-2-diphenylphosphorylethenyl]benzene
PubChem CID162401523
Molecular FormulaC20H15Cl2OP
Molecular Weight373.22 g/mol
Exact Mass372.02
IUPAC Name2,4-dichloro-1-[(E)-2-diphenylphosphorylethenyl]benzene
SMILESO=P(/C=C/c1ccc(Cl)cc1Cl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H15Cl2OP/c21-17-12-11-16(20(22)15-17)13-14-24(23,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-15H/b14-13+
InChIKeyWJCJFTBTQOROCI-BUHFOSPRSA-N
XLogP5.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.22
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-1-(2-phenylethenyl)benzene
CID 66779322
2,4-dichloro-1-(2-chloroethenyl)benzene
CID 609851
N-[4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]phenyl]benzamide
CID 1348173
3-(2,4-dichlorophenyl)prop-2-enal
CID 4193011
(E)-3-(2,4-dichlorophenyl)-N,N-diphenylprop-2-enamide
CID 2343564
2,4-dichloro-1-[(1E,3Z)-4-chloro-4-phenylbuta-1,3-dienyl]benzene
CID 10686344
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzenesulfonamide
CID 5387404
2,4-dichloro-1-[2-[2-(2,4-dichlorophenyl)ethenoxy]ethenyl]benzene
CID 139944429
(E)-4-(2,4-dichlorophenyl)but-3-enal
CID 87333771
(Z)-3-(2,4-dichlorophenyl)-2-phenylprop-2-enoic acid
CID 43132115
2,4-dichloro-1-ethenylbenzene;styrene
CID 67764431
2-[3-(2,4-dichlorophenyl)prop-2-enoylamino]acetic acid
CID 3322960

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-[(E)-2-diphenylphosphorylethenyl]benzene?
The IUPAC name of 2,4-dichloro-1-[(E)-2-diphenylphosphorylethenyl]benzene (CID 162401523) is 2,4-dichloro-1-[(E)-2-diphenylphosphorylethenyl]benzene.
What is the SMILES notation for 2,4-dichloro-1-[(E)-2-diphenylphosphorylethenyl]benzene?
The canonical SMILES for 2,4-dichloro-1-[(E)-2-diphenylphosphorylethenyl]benzene is O=P(/C=C/c1ccc(Cl)cc1Cl)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,4-dichloro-1-[(E)-2-diphenylphosphorylethenyl]benzene?
The InChIKey is WJCJFTBTQOROCI-BUHFOSPRSA-N. The full InChI is InChI=1S/C20H15Cl2OP/c21-17-12-11-16(20(22)15-17)13-14-24(23,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-15H/b14-13+.
What are the key properties of 2,4-dichloro-1-[(E)-2-diphenylphosphorylethenyl]benzene?
2,4-dichloro-1-[(E)-2-diphenylphosphorylethenyl]benzene has a molecular weight of 373.22 g/mol, XLogP of 5.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-[(E)-2-diphenylphosphorylethenyl]benzene is sourced from PubChem (CID 162401523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).