cyclohexa-2,4-dien-1-yl(diphenyl)phosphane

C18H17P — CID 4298218

IUPACcyclohexa-2,4-dien-1-yl(diphenyl)phosphane
SMILESC1=CCC(P(c2ccccc2)c2ccccc2)C=C1
InChIInChI=1S/C18H17P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-14,18H,15H2
InChIKeyWWAVXKGDVWAIFD-UHFFFAOYSA-N
MW264.31 g/mol
LogP4.00
Rot. Bonds3

About cyclohexa-2,4-dien-1-yl(diphenyl)phosphane

cyclohexa-2,4-dien-1-yl(diphenyl)phosphane (PubChem CID 4298218) has the molecular formula C18H17P and a molecular weight of 264.31 g/mol. Its IUPAC name is cyclohexa-2,4-dien-1-yl(diphenyl)phosphane.

Molecular Properties

Compound Namecyclohexa-2,4-dien-1-yl(diphenyl)phosphane
PubChem CID4298218
Molecular FormulaC18H17P
Molecular Weight264.31 g/mol
Exact Mass264.11
IUPAC Namecyclohexa-2,4-dien-1-yl(diphenyl)phosphane
SMILESC1=CCC(P(c2ccccc2)c2ccccc2)C=C1
InChIInChI=1S/C18H17P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-14,18H,15H2
InChIKeyWWAVXKGDVWAIFD-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexa-2,4-dien-1-yl(diphenyl)phosphane?
The IUPAC name of cyclohexa-2,4-dien-1-yl(diphenyl)phosphane (CID 4298218) is cyclohexa-2,4-dien-1-yl(diphenyl)phosphane.
What is the SMILES notation for cyclohexa-2,4-dien-1-yl(diphenyl)phosphane?
The canonical SMILES for cyclohexa-2,4-dien-1-yl(diphenyl)phosphane is C1=CCC(P(c2ccccc2)c2ccccc2)C=C1.
What is the InChIKey of cyclohexa-2,4-dien-1-yl(diphenyl)phosphane?
The InChIKey is WWAVXKGDVWAIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-14,18H,15H2.
What are the key properties of cyclohexa-2,4-dien-1-yl(diphenyl)phosphane?
cyclohexa-2,4-dien-1-yl(diphenyl)phosphane has a molecular weight of 264.31 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-2,4-dien-1-yl(diphenyl)phosphane is sourced from PubChem (CID 4298218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).