cyclohexa-2,4-dien-1-ylidene-methyl-phenylphosphanium

C13H14P+ — CID 163672631

IUPACcyclohexa-2,4-dien-1-ylidene-methyl-phenylphosphanium
SMILESC[P+](=C1C=CC=CC1)c1ccccc1
InChIInChI=1S/C13H14P/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-10H,11H2,1H3/q+1
InChIKeyUIFOBLYDYSNWEN-UHFFFAOYSA-N
MW201.23 g/mol
LogP3.11
Rot. Bonds1

About cyclohexa-2,4-dien-1-ylidene-methyl-phenylphosphanium

cyclohexa-2,4-dien-1-ylidene-methyl-phenylphosphanium (PubChem CID 163672631) has the molecular formula C13H14P+ and a molecular weight of 201.23 g/mol. Its IUPAC name is cyclohexa-2,4-dien-1-ylidene-methyl-phenylphosphanium.

Molecular Properties

Compound Namecyclohexa-2,4-dien-1-ylidene-methyl-phenylphosphanium
PubChem CID163672631
Molecular FormulaC13H14P+
Molecular Weight201.23 g/mol
Exact Mass201.08
IUPAC Namecyclohexa-2,4-dien-1-ylidene-methyl-phenylphosphanium
SMILESC[P+](=C1C=CC=CC1)c1ccccc1
InChIInChI=1S/C13H14P/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-10H,11H2,1H3/q+1
InChIKeyUIFOBLYDYSNWEN-UHFFFAOYSA-N
XLogP3.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

cyclohexa-2,4-dien-1-ylidenemethylbenzene
CID 54483415
methyl-phenyl-sulfanylidenephosphanium
CID 59983199
1,3,4-trimethyl-1-phenyl-2,5-dihydrogermole
CID 102154983
anthracene;cyclohexa-2,4-dien-1-one
CID 174866475
5-diazocyclohexa-1,3-diene;1-phenylethanone;hydrochloride
CID 174554385
carbon monoxide;iron;(Z)-N-phenylmethoxycyclohexa-2,4-dien-1-imine
CID 11046044
cyclohepta-1,4,6-trien-1-yl(phenyl)methanol;ethane
CID 143019202
N-[(E)-cyclohexa-2,4-dien-1-ylidene(phenyl)methyl]ethanimine
CID 145442127
ethane;methane;2-phenylcyclohepta-1,3,5-triene
CID 154646973
N-cyclohexa-2,4-dien-1-yl-N-methylaniline
CID 15822281
cyclopenta-1,3-diene;ethane;toluene
CID 90880714
5,11-dibromo-10H-cyclohepta[b]naphthalene
CID 143834873

Frequently Asked Questions

What is the IUPAC name of cyclohexa-2,4-dien-1-ylidene-methyl-phenylphosphanium?
The IUPAC name of cyclohexa-2,4-dien-1-ylidene-methyl-phenylphosphanium (CID 163672631) is cyclohexa-2,4-dien-1-ylidene-methyl-phenylphosphanium.
What is the SMILES notation for cyclohexa-2,4-dien-1-ylidene-methyl-phenylphosphanium?
The canonical SMILES for cyclohexa-2,4-dien-1-ylidene-methyl-phenylphosphanium is C[P+](=C1C=CC=CC1)c1ccccc1.
What is the InChIKey of cyclohexa-2,4-dien-1-ylidene-methyl-phenylphosphanium?
The InChIKey is UIFOBLYDYSNWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14P/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-10H,11H2,1H3/q+1.
What are the key properties of cyclohexa-2,4-dien-1-ylidene-methyl-phenylphosphanium?
cyclohexa-2,4-dien-1-ylidene-methyl-phenylphosphanium has a molecular weight of 201.23 g/mol, XLogP of 3.11, 1 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-ylidene-methyl-phenylphosphanium is sourced from PubChem (CID 163672631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).