1-[[2,3-bis(ethenyl)phenyl]-phenylphosphoryl]-2-ethenyl-3-methylbenzene

C25H23OP — CID 145199166

IUPAC1-[[2,3-bis(ethenyl)phenyl]-phenylphosphoryl]-2-ethenyl-3-methylbenzene
SMILESC=Cc1cccc(P(=O)(c2ccccc2)c2cccc(C)c2C=C)c1C=C
InChIInChI=1S/C25H23OP/c1-5-20-14-12-18-25(23(20)7-3)27(26,21-15-9-8-10-16-21)24-17-11-13-19(4)22(24)6-2/h5-18H,1-3H2,4H3
InChIKeyGFGCTEFAPASMIZ-UHFFFAOYSA-N
MW370.43 g/mol
LogP5.56
Rot. Bonds6

About 1-[[2,3-bis(ethenyl)phenyl]-phenylphosphoryl]-2-ethenyl-3-methylbenzene

1-[[2,3-bis(ethenyl)phenyl]-phenylphosphoryl]-2-ethenyl-3-methylbenzene (PubChem CID 145199166) has the molecular formula C25H23OP and a molecular weight of 370.43 g/mol. Its IUPAC name is 1-[[2,3-bis(ethenyl)phenyl]-phenylphosphoryl]-2-ethenyl-3-methylbenzene.

Molecular Properties

Compound Name1-[[2,3-bis(ethenyl)phenyl]-phenylphosphoryl]-2-ethenyl-3-methylbenzene
PubChem CID145199166
Molecular FormulaC25H23OP
Molecular Weight370.43 g/mol
Exact Mass370.15
IUPAC Name1-[[2,3-bis(ethenyl)phenyl]-phenylphosphoryl]-2-ethenyl-3-methylbenzene
SMILESC=Cc1cccc(P(=O)(c2ccccc2)c2cccc(C)c2C=C)c1C=C
InChIInChI=1S/C25H23OP/c1-5-20-14-12-18-25(23(20)7-3)27(26,21-15-9-8-10-16-21)24-17-11-13-19(4)22(24)6-2/h5-18H,1-3H2,4H3
InChIKeyGFGCTEFAPASMIZ-UHFFFAOYSA-N
XLogP5.56
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.43
LogP ≤ 55.56
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

3-(2-ethenyl-6-methylphenyl)prop-2-enoic acid
CID 67304949
1,2-bis(ethenyl)-3-(2-methylphenyl)benzene
CID 143516768
2-[[2-[(E)-2-(benzenesulfonyl)ethenyl]phenyl]-phenylphosphoryl]-3-methylpyridine
CID 155666559
1-(2-diphenylphosphorylphenyl)-2-methylbenzene
CID 15531741
acetylene;2-ethenyl-1,3-dimethylbenzene
CID 142972019
1-ethenyl-2-methylbenzene;sulfane
CID 175547085
(2-ethenyl-6-methylphenyl)methanimine
CID 156888236
lithium;1-ethenyl-2-methylbenzene;hydride
CID 174441225
ethane;ethene;1-ethenyl-2-methylbenzene;propane
CID 142045416
1-[(4-bromophenyl)-(2-methylphenyl)phosphoryl]-2-methylbenzene
CID 150421985
1-ethenyl-2-methylbenzene;trimethylazanium
CID 18465530
1-benzyl-2-ethenyl-3-methylbenzene
CID 140517304

Frequently Asked Questions

What is the IUPAC name of 1-[[2,3-bis(ethenyl)phenyl]-phenylphosphoryl]-2-ethenyl-3-methylbenzene?
The IUPAC name of 1-[[2,3-bis(ethenyl)phenyl]-phenylphosphoryl]-2-ethenyl-3-methylbenzene (CID 145199166) is 1-[[2,3-bis(ethenyl)phenyl]-phenylphosphoryl]-2-ethenyl-3-methylbenzene.
What is the SMILES notation for 1-[[2,3-bis(ethenyl)phenyl]-phenylphosphoryl]-2-ethenyl-3-methylbenzene?
The canonical SMILES for 1-[[2,3-bis(ethenyl)phenyl]-phenylphosphoryl]-2-ethenyl-3-methylbenzene is C=Cc1cccc(P(=O)(c2ccccc2)c2cccc(C)c2C=C)c1C=C.
What is the InChIKey of 1-[[2,3-bis(ethenyl)phenyl]-phenylphosphoryl]-2-ethenyl-3-methylbenzene?
The InChIKey is GFGCTEFAPASMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23OP/c1-5-20-14-12-18-25(23(20)7-3)27(26,21-15-9-8-10-16-21)24-17-11-13-19(4)22(24)6-2/h5-18H,1-3H2,4H3.
What are the key properties of 1-[[2,3-bis(ethenyl)phenyl]-phenylphosphoryl]-2-ethenyl-3-methylbenzene?
1-[[2,3-bis(ethenyl)phenyl]-phenylphosphoryl]-2-ethenyl-3-methylbenzene has a molecular weight of 370.43 g/mol, XLogP of 5.56, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2,3-bis(ethenyl)phenyl]-phenylphosphoryl]-2-ethenyl-3-methylbenzene is sourced from PubChem (CID 145199166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).