(1-diphenylphosphoryl-3-ethylhexa-1,3-dien-2-yl)benzene

C26H27OP — CID 135002903

IUPAC(1-diphenylphosphoryl-3-ethylhexa-1,3-dien-2-yl)benzene
SMILESCCC=C(CC)C(=CP(=O)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H27OP/c1-3-14-22(4-2)26(23-15-8-5-9-16-23)21-28(27,24-17-10-6-11-18-24)25-19-12-7-13-20-25/h5-21H,3-4H2,1-2H3
InChIKeyRMPWMQFKHCJVFJ-UHFFFAOYSA-N
MW386.48 g/mol
LogP6.79
Rot. Bonds7

About (1-diphenylphosphoryl-3-ethylhexa-1,3-dien-2-yl)benzene

(1-diphenylphosphoryl-3-ethylhexa-1,3-dien-2-yl)benzene (PubChem CID 135002903) has the molecular formula C26H27OP and a molecular weight of 386.48 g/mol. Its IUPAC name is (1-diphenylphosphoryl-3-ethylhexa-1,3-dien-2-yl)benzene.

Molecular Properties

Compound Name(1-diphenylphosphoryl-3-ethylhexa-1,3-dien-2-yl)benzene
PubChem CID135002903
Molecular FormulaC26H27OP
Molecular Weight386.48 g/mol
Exact Mass386.18
IUPAC Name(1-diphenylphosphoryl-3-ethylhexa-1,3-dien-2-yl)benzene
SMILESCCC=C(CC)C(=CP(=O)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H27OP/c1-3-14-22(4-2)26(23-15-8-5-9-16-23)21-28(27,24-17-10-6-11-18-24)25-19-12-7-13-20-25/h5-21H,3-4H2,1-2H3
InChIKeyRMPWMQFKHCJVFJ-UHFFFAOYSA-N
XLogP6.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.48
LogP ≤ 56.79
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

(E)-1,2-diphenylpent-2-en-1-one
CID 14568344
3-phenylhex-3-en-2-one
CID 130637770
2-hydroxy-1-phenylpent-2-en-1-one
CID 154192343
[(E)-1-diphenylphosphorylprop-1-en-2-yl]-diphenyl-sulfanylidene-λ5-phosphane
CID 54762904
[3-ethylpenta-1,2-dienyl(phenyl)phosphoryl]benzene
CID 154719570
[(Z)-2-[(E)-2-diphenylphosphoryl-1-phenylethenoxy]-2-phenylethenyl]benzene
CID 134935737
[3-methylpenta-1,2-dienyl(phenyl)phosphoryl]benzene
CID 164687316
ethyl 2-phenylpent-2-enoate
CID 148550128
(Z,2R)-4-diphenylphosphoryl-3-methylbut-3-ene-1,2-diol
CID 10063472
(Z)-1-diphenylphosphoryl-3,3-dimethylbut-1-en-2-amine
CID 91998631
[[(Z)-2-[2-(cyclohexen-1-yl)ethynyl]hex-1-enyl]-phenylphosphoryl]benzene
CID 11326697
[(1E,3E)-1-bromo-3-[(Z)-prop-1-enyl]hexa-1,3-dien-2-yl]benzene
CID 142006015

Frequently Asked Questions

What is the IUPAC name of (1-diphenylphosphoryl-3-ethylhexa-1,3-dien-2-yl)benzene?
The IUPAC name of (1-diphenylphosphoryl-3-ethylhexa-1,3-dien-2-yl)benzene (CID 135002903) is (1-diphenylphosphoryl-3-ethylhexa-1,3-dien-2-yl)benzene.
What is the SMILES notation for (1-diphenylphosphoryl-3-ethylhexa-1,3-dien-2-yl)benzene?
The canonical SMILES for (1-diphenylphosphoryl-3-ethylhexa-1,3-dien-2-yl)benzene is CCC=C(CC)C(=CP(=O)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (1-diphenylphosphoryl-3-ethylhexa-1,3-dien-2-yl)benzene?
The InChIKey is RMPWMQFKHCJVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27OP/c1-3-14-22(4-2)26(23-15-8-5-9-16-23)21-28(27,24-17-10-6-11-18-24)25-19-12-7-13-20-25/h5-21H,3-4H2,1-2H3.
What are the key properties of (1-diphenylphosphoryl-3-ethylhexa-1,3-dien-2-yl)benzene?
(1-diphenylphosphoryl-3-ethylhexa-1,3-dien-2-yl)benzene has a molecular weight of 386.48 g/mol, XLogP of 6.79, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-diphenylphosphoryl-3-ethylhexa-1,3-dien-2-yl)benzene is sourced from PubChem (CID 135002903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).