(triphenyl-λ5-phosphanylidene)methylphosphonic acid

C19H18O3P2 — CID 21266815

IUPAC(triphenyl-λ5-phosphanylidene)methylphosphonic acid
SMILESO=P(O)(O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H18O3P2/c20-24(21,22)16-23(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16H,(H2,20,21,22)
InChIKeyCAVQZTSODCNJNK-UHFFFAOYSA-N
MW356.30 g/mol
LogP2.92
Rot. Bonds4

About (triphenyl-λ5-phosphanylidene)methylphosphonic acid

(triphenyl-λ5-phosphanylidene)methylphosphonic acid (PubChem CID 21266815) has the molecular formula C19H18O3P2 and a molecular weight of 356.30 g/mol. Its IUPAC name is (triphenyl-λ5-phosphanylidene)methylphosphonic acid.

Molecular Properties

Compound Name(triphenyl-λ5-phosphanylidene)methylphosphonic acid
PubChem CID21266815
Molecular FormulaC19H18O3P2
Molecular Weight356.30 g/mol
Exact Mass356.07
IUPAC Name(triphenyl-λ5-phosphanylidene)methylphosphonic acid
SMILESO=P(O)(O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H18O3P2/c20-24(21,22)16-23(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16H,(H2,20,21,22)
InChIKeyCAVQZTSODCNJNK-UHFFFAOYSA-N
XLogP2.92
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 66766975
CID 66766975
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diphenylphosphinic acid chloride
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phenylphosphonamidic acid
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methyl(phenyl)phosphinic acid;zinc
CID 66618039
magnesium;hydride;methyl(phenyl)phosphinic acid
CID 173000792
(Z)-3-phenyl-2-phosphonoprop-2-enoic acid
CID 67323019
diphenylphosphorylbenzene;terbium
CID 86595283
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CID 174457204
carbonic acid;phenol;phosphoric acid
CID 70560640
[3-methylpenta-1,2-dienyl(phenyl)phosphoryl]benzene
CID 164687316

Frequently Asked Questions

What is the IUPAC name of (triphenyl-λ5-phosphanylidene)methylphosphonic acid?
The IUPAC name of (triphenyl-λ5-phosphanylidene)methylphosphonic acid (CID 21266815) is (triphenyl-λ5-phosphanylidene)methylphosphonic acid.
What is the SMILES notation for (triphenyl-λ5-phosphanylidene)methylphosphonic acid?
The canonical SMILES for (triphenyl-λ5-phosphanylidene)methylphosphonic acid is O=P(O)(O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (triphenyl-λ5-phosphanylidene)methylphosphonic acid?
The InChIKey is CAVQZTSODCNJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O3P2/c20-24(21,22)16-23(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16H,(H2,20,21,22).
What are the key properties of (triphenyl-λ5-phosphanylidene)methylphosphonic acid?
(triphenyl-λ5-phosphanylidene)methylphosphonic acid has a molecular weight of 356.30 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (triphenyl-λ5-phosphanylidene)methylphosphonic acid is sourced from PubChem (CID 21266815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).