1,1-dimethoxy-4-methylidene-2,6-diphenylphosphinin-1-ium

C20H20O2P+ — CID 134881053

IUPAC1,1-dimethoxy-4-methylidene-2,6-diphenylphosphinin-1-ium
SMILESC=C1C=C(c2ccccc2)[P+](OC)(OC)C(c2ccccc2)=C1
InChIInChI=1S/C20H20O2P/c1-16-14-19(17-10-6-4-7-11-17)23(21-2,22-3)20(15-16)18-12-8-5-9-13-18/h4-15H,1H2,2-3H3/q+1
InChIKeyYIBVERZWTZNMRS-UHFFFAOYSA-N
MW323.35 g/mol
LogP5.78
Rot. Bonds4

About 1,1-dimethoxy-4-methylidene-2,6-diphenylphosphinin-1-ium

1,1-dimethoxy-4-methylidene-2,6-diphenylphosphinin-1-ium (PubChem CID 134881053) has the molecular formula C20H20O2P+ and a molecular weight of 323.35 g/mol. Its IUPAC name is 1,1-dimethoxy-4-methylidene-2,6-diphenylphosphinin-1-ium.

Molecular Properties

Compound Name1,1-dimethoxy-4-methylidene-2,6-diphenylphosphinin-1-ium
PubChem CID134881053
Molecular FormulaC20H20O2P+
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name1,1-dimethoxy-4-methylidene-2,6-diphenylphosphinin-1-ium
SMILESC=C1C=C(c2ccccc2)[P+](OC)(OC)C(c2ccccc2)=C1
InChIInChI=1S/C20H20O2P/c1-16-14-19(17-10-6-4-7-11-17)23(21-2,22-3)20(15-16)18-12-8-5-9-13-18/h4-15H,1H2,2-3H3/q+1
InChIKeyYIBVERZWTZNMRS-UHFFFAOYSA-N
XLogP5.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.35
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1'-biphenyl;methoxyphosphane
CID 69051753
benzene;1,1'-biphenyl;ethane
CID 158550617
benzene;tris(1,1'-biphenyl)
CID 162155747
CID 138962948
CID 138962948
trimethyl-(4-methylidene-2-phenylcyclobut-2-en-1-yl)silane
CID 101146954
6,7-dimethoxy-2,3-diphenylquinoxaline
CID 1236458
5-methoxy-6-methylidene-1-phenylcyclohexa-1,3-diene
CID 141284582
1,1'-biphenyl;ethane;hydrobromide
CID 90342014
1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 162041275
benzene;1,1'-biphenyl;ethane;methane
CID 161215689
CID 162140615
CID 162140615
bis(1,1'-biphenyl);sulfane
CID 22247507

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxy-4-methylidene-2,6-diphenylphosphinin-1-ium?
The IUPAC name of 1,1-dimethoxy-4-methylidene-2,6-diphenylphosphinin-1-ium (CID 134881053) is 1,1-dimethoxy-4-methylidene-2,6-diphenylphosphinin-1-ium.
What is the SMILES notation for 1,1-dimethoxy-4-methylidene-2,6-diphenylphosphinin-1-ium?
The canonical SMILES for 1,1-dimethoxy-4-methylidene-2,6-diphenylphosphinin-1-ium is C=C1C=C(c2ccccc2)[P+](OC)(OC)C(c2ccccc2)=C1.
What is the InChIKey of 1,1-dimethoxy-4-methylidene-2,6-diphenylphosphinin-1-ium?
The InChIKey is YIBVERZWTZNMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O2P/c1-16-14-19(17-10-6-4-7-11-17)23(21-2,22-3)20(15-16)18-12-8-5-9-13-18/h4-15H,1H2,2-3H3/q+1.
What are the key properties of 1,1-dimethoxy-4-methylidene-2,6-diphenylphosphinin-1-ium?
1,1-dimethoxy-4-methylidene-2,6-diphenylphosphinin-1-ium has a molecular weight of 323.35 g/mol, XLogP of 5.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxy-4-methylidene-2,6-diphenylphosphinin-1-ium is sourced from PubChem (CID 134881053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).