(2-methylphenyl)-[2-methyl-4-(2-phenylethenyl)phenyl]phosphane

C22H21P — CID 68912832

IUPAC(2-methylphenyl)-[2-methyl-4-(2-phenylethenyl)phenyl]phosphane
SMILESCc1ccccc1Pc1ccc(C=Cc2ccccc2)cc1C
InChIInChI=1S/C22H21P/c1-17-8-6-7-11-21(17)23-22-15-14-20(16-18(22)2)13-12-19-9-4-3-5-10-19/h3-16,23H,1-2H3
InChIKeyLRHJFHNBOKSPHD-UHFFFAOYSA-N
MW316.38 g/mol
LogP5.10
Rot. Bonds4

About (2-methylphenyl)-[2-methyl-4-(2-phenylethenyl)phenyl]phosphane

(2-methylphenyl)-[2-methyl-4-(2-phenylethenyl)phenyl]phosphane (PubChem CID 68912832) has the molecular formula C22H21P and a molecular weight of 316.38 g/mol. Its IUPAC name is (2-methylphenyl)-[2-methyl-4-(2-phenylethenyl)phenyl]phosphane.

Molecular Properties

Compound Name(2-methylphenyl)-[2-methyl-4-(2-phenylethenyl)phenyl]phosphane
PubChem CID68912832
Molecular FormulaC22H21P
Molecular Weight316.38 g/mol
Exact Mass316.14
IUPAC Name(2-methylphenyl)-[2-methyl-4-(2-phenylethenyl)phenyl]phosphane
SMILESCc1ccccc1Pc1ccc(C=Cc2ccccc2)cc1C
InChIInChI=1S/C22H21P/c1-17-8-6-7-11-21(17)23-22-15-14-20(16-18(22)2)13-12-19-9-4-3-5-10-19/h3-16,23H,1-2H3
InChIKeyLRHJFHNBOKSPHD-UHFFFAOYSA-N
XLogP5.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.38
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-1,3-dimethyl-5-[(E)-2-phenylethenyl]benzene
CID 166844983
2-methyl-4-[(E)-2-phenylethenyl]-1-[4-[(Z)-2-phenylethenyl]phenyl]benzene
CID 177422540
1,2,3,4-tetramethyl-6-(2-phenylethenyl)naphthalene
CID 173240821
9,10-dimethyl-2,7-bis(2-phenylethenyl)phenanthrene
CID 76563716
2-methyl-1-nitro-4-[(E)-2-phenylethenyl]benzene
CID 101353139
methane;1-methyl-4-[(E)-2-phenylethenyl]benzene
CID 144677664
1,4-bis(2-phenylethenyl)benzene;carbanide;ethane;ethane;methane;tetrakis(yttrium)
CID 159183097
CID 70567885
CID 70567885
CID 70569152
CID 70569152
acetic acid;stilbene
CID 172803728
2-methyl-4,6-bis[(E)-2-phenylethenyl]phenol
CID 6071425
1-methylnaphthalene;stilbene
CID 173370087

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-[2-methyl-4-(2-phenylethenyl)phenyl]phosphane?
The IUPAC name of (2-methylphenyl)-[2-methyl-4-(2-phenylethenyl)phenyl]phosphane (CID 68912832) is (2-methylphenyl)-[2-methyl-4-(2-phenylethenyl)phenyl]phosphane.
What is the SMILES notation for (2-methylphenyl)-[2-methyl-4-(2-phenylethenyl)phenyl]phosphane?
The canonical SMILES for (2-methylphenyl)-[2-methyl-4-(2-phenylethenyl)phenyl]phosphane is Cc1ccccc1Pc1ccc(C=Cc2ccccc2)cc1C.
What is the InChIKey of (2-methylphenyl)-[2-methyl-4-(2-phenylethenyl)phenyl]phosphane?
The InChIKey is LRHJFHNBOKSPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21P/c1-17-8-6-7-11-21(17)23-22-15-14-20(16-18(22)2)13-12-19-9-4-3-5-10-19/h3-16,23H,1-2H3.
What are the key properties of (2-methylphenyl)-[2-methyl-4-(2-phenylethenyl)phenyl]phosphane?
(2-methylphenyl)-[2-methyl-4-(2-phenylethenyl)phenyl]phosphane has a molecular weight of 316.38 g/mol, XLogP of 5.10, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-[2-methyl-4-(2-phenylethenyl)phenyl]phosphane is sourced from PubChem (CID 68912832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).