[(4-methoxyphenyl)-triphenyl-λ5-arsanyl] acetate

C27H25AsO3 — CID 87786699

IUPAC[(4-methoxyphenyl)-triphenyl-λ5-arsanyl] acetate
SMILESCOc1ccc([As](OC(C)=O)(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H25AsO3/c1-22(29)31-28(23-12-6-3-7-13-23,24-14-8-4-9-15-24,25-16-10-5-11-17-25)26-18-20-27(30-2)21-19-26/h3-21H,1-2H3
InChIKeyJEYQDQDBPSGYGU-UHFFFAOYSA-N
MW472.42 g/mol
LogP3.09
Rot. Bonds6

About [(4-methoxyphenyl)-triphenyl-λ5-arsanyl] acetate

[(4-methoxyphenyl)-triphenyl-λ5-arsanyl] acetate (PubChem CID 87786699) has the molecular formula C27H25AsO3 and a molecular weight of 472.42 g/mol. Its IUPAC name is [(4-methoxyphenyl)-triphenyl-λ5-arsanyl] acetate.

Molecular Properties

Compound Name[(4-methoxyphenyl)-triphenyl-λ5-arsanyl] acetate
PubChem CID87786699
Molecular FormulaC27H25AsO3
Molecular Weight472.42 g/mol
Exact Mass472.10
IUPAC Name[(4-methoxyphenyl)-triphenyl-λ5-arsanyl] acetate
SMILESCOc1ccc([As](OC(C)=O)(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H25AsO3/c1-22(29)31-28(23-12-6-3-7-13-23,24-14-8-4-9-15-24,25-16-10-5-11-17-25)26-18-20-27(30-2)21-19-26/h3-21H,1-2H3
InChIKeyJEYQDQDBPSGYGU-UHFFFAOYSA-N
XLogP3.09
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.42
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

anisole;ethane;propan-2-one
CID 164986667
[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-phenylmethanone
CID 134955229
[[2-(4-methoxyphenyl)-2-oxo-1-phenylethylidene]amino] acetate
CID 72596234
anisole;butan-2-one
CID 67379528
acetic acid;4-[1-(4-methoxyphenyl)-2,2-diphenylethenyl]phenol
CID 71403634
4-methoxybenzoic acid;silver
CID 140722019
4-methoxybenzoic acid;hydrobromide
CID 172731707
methyl (E)-3-(4-methoxyphenyl)-2-methyl-3-phenylprop-2-enoate
CID 101149814
diiodo-tris(4-methoxyphenyl)-lambda5-arsane
CID 11828429
dipotassium;hydride;bis(4-methoxybenzoic acid)
CID 174966715
1-hydroxy-1-(4-methoxyphenyl)-1-phenylpropan-2-one
CID 141100176
anisole;methyl 4-methoxybenzoate
CID 158093995

Frequently Asked Questions

What is the IUPAC name of [(4-methoxyphenyl)-triphenyl-λ5-arsanyl] acetate?
The IUPAC name of [(4-methoxyphenyl)-triphenyl-λ5-arsanyl] acetate (CID 87786699) is [(4-methoxyphenyl)-triphenyl-λ5-arsanyl] acetate.
What is the SMILES notation for [(4-methoxyphenyl)-triphenyl-λ5-arsanyl] acetate?
The canonical SMILES for [(4-methoxyphenyl)-triphenyl-λ5-arsanyl] acetate is COc1ccc([As](OC(C)=O)(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [(4-methoxyphenyl)-triphenyl-λ5-arsanyl] acetate?
The InChIKey is JEYQDQDBPSGYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25AsO3/c1-22(29)31-28(23-12-6-3-7-13-23,24-14-8-4-9-15-24,25-16-10-5-11-17-25)26-18-20-27(30-2)21-19-26/h3-21H,1-2H3.
What are the key properties of [(4-methoxyphenyl)-triphenyl-λ5-arsanyl] acetate?
[(4-methoxyphenyl)-triphenyl-λ5-arsanyl] acetate has a molecular weight of 472.42 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-methoxyphenyl)-triphenyl-λ5-arsanyl] acetate is sourced from PubChem (CID 87786699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).