methyl 2-[tris(4-methylphenyl)-λ5-phosphanylidene]acetate

C24H25O2P — CID 139880255

IUPACmethyl 2-[tris(4-methylphenyl)-λ5-phosphanylidene]acetate
SMILESCOC(=O)C=P(c1ccc(C)cc1)(c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C24H25O2P/c1-18-5-11-21(12-6-18)27(17-24(25)26-4,22-13-7-19(2)8-14-22)23-15-9-20(3)10-16-23/h5-17H,1-4H3
InChIKeyPACORKZPQOOFBB-UHFFFAOYSA-N
MW376.44 g/mol
LogP3.88
Rot. Bonds4

About methyl 2-[tris(4-methylphenyl)-λ5-phosphanylidene]acetate

methyl 2-[tris(4-methylphenyl)-λ5-phosphanylidene]acetate (PubChem CID 139880255) has the molecular formula C24H25O2P and a molecular weight of 376.44 g/mol. Its IUPAC name is methyl 2-[tris(4-methylphenyl)-λ5-phosphanylidene]acetate.

Molecular Properties

Compound Namemethyl 2-[tris(4-methylphenyl)-λ5-phosphanylidene]acetate
PubChem CID139880255
Molecular FormulaC24H25O2P
Molecular Weight376.44 g/mol
Exact Mass376.16
IUPAC Namemethyl 2-[tris(4-methylphenyl)-λ5-phosphanylidene]acetate
SMILESCOC(=O)C=P(c1ccc(C)cc1)(c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C24H25O2P/c1-18-5-11-21(12-6-18)27(17-24(25)26-4,22-13-7-19(2)8-14-22)23-15-9-20(3)10-16-23/h5-17H,1-4H3
InChIKeyPACORKZPQOOFBB-UHFFFAOYSA-N
XLogP3.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.88
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

ethyl 2-(triphenyl-λ5-phosphanylidene)acetate;hydrobromide
CID 173228193
carbonic acid;1,4-xylene
CID 89415214
methyl (Z)-3-[2-(4-methylbenzoyl)hydrazinyl]but-2-enoate
CID 23268413
actinium;[(Z)-3-methoxy-1-(4-methylphenyl)-3-oxoprop-1-enyl]azanide
CID 59082650
methyl 4-methylbenzoate
CID 91113291
methyl 4-methylbenzoate
CID 7455
methyl (E)-4-(2,5-dimethylphenyl)-4-oxobut-2-enoate
CID 82550916
methyl 3-(2-methoxy-5-methylanilino)but-2-enoate
CID 156769346
3-bromocyclopenta-1,3-diene-1-carbaldehyde;2-(3-bromocyclopenta-1,3-dien-1-yl)ethyl 4-methylbenzenesulfonate;methoxymethylidene(triphenyl)-λ5-phosphane;methyl 2-(triphenyl-λ5-phosphanylidene)acetate
CID 90908172
1-difluorophosphoryl-4-methylbenzene
CID 23418656
methyl (2S)-3-methyl-2-(4-methylanilino)butanoate
CID 11356478
methyl (E)-4-(4-methylphenyl)sulfonylbut-2-enoate
CID 10934043

Frequently Asked Questions

What is the IUPAC name of methyl 2-[tris(4-methylphenyl)-λ5-phosphanylidene]acetate?
The IUPAC name of methyl 2-[tris(4-methylphenyl)-λ5-phosphanylidene]acetate (CID 139880255) is methyl 2-[tris(4-methylphenyl)-λ5-phosphanylidene]acetate.
What is the SMILES notation for methyl 2-[tris(4-methylphenyl)-λ5-phosphanylidene]acetate?
The canonical SMILES for methyl 2-[tris(4-methylphenyl)-λ5-phosphanylidene]acetate is COC(=O)C=P(c1ccc(C)cc1)(c1ccc(C)cc1)c1ccc(C)cc1.
What is the InChIKey of methyl 2-[tris(4-methylphenyl)-λ5-phosphanylidene]acetate?
The InChIKey is PACORKZPQOOFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25O2P/c1-18-5-11-21(12-6-18)27(17-24(25)26-4,22-13-7-19(2)8-14-22)23-15-9-20(3)10-16-23/h5-17H,1-4H3.
What are the key properties of methyl 2-[tris(4-methylphenyl)-λ5-phosphanylidene]acetate?
methyl 2-[tris(4-methylphenyl)-λ5-phosphanylidene]acetate has a molecular weight of 376.44 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[tris(4-methylphenyl)-λ5-phosphanylidene]acetate is sourced from PubChem (CID 139880255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).