CID 175741196

C12H10AlO4P — CID 175741196

IUPAC—
SMILESO=P(O[Al])(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C12H11O4P.Al/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;/h1-10H,(H,13,14);/q;+1/p-1
InChIKeySVMSODFZHQAOBR-UHFFFAOYSA-M
MW276.16 g/mol
LogP3.35
Rot. Bonds5

About CID 175741196

CID 175741196 (PubChem CID 175741196) has the molecular formula C12H10AlO4P and a molecular weight of 276.16 g/mol.

Molecular Properties

Compound NameCID 175741196
PubChem CID175741196
Molecular FormulaC12H10AlO4P
Molecular Weight276.16 g/mol
Exact Mass276.01
IUPAC Name—
SMILESO=P(O[Al])(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C12H11O4P.Al/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;/h1-10H,(H,13,14);/q;+1/p-1
InChIKeySVMSODFZHQAOBR-UHFFFAOYSA-M
XLogP3.35
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.16
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

triphenyl phosphate;hydrate
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(4-diphenoxyphosphanyloxyphenyl) diphenyl phosphate
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chloro diphenyl phosphate;hydrate
CID 70610879
tris(diphenyl hydrogen phosphate);phosphane
CID 172751224
diphenoxyphosphorylsilane;phosphane
CID 174958468
dimethyl phenyl phosphate;ethane;trimethyl phosphate
CID 90867053
diphenoxyphosphoryl diphenyl phosphate;propane
CID 162105616
phosphane;toluene;tris(4-methylphenyl) phosphate
CID 174780214

Frequently Asked Questions

What is the IUPAC name of CID 175741196?
The IUPAC name of CID 175741196 (CID 175741196) is not available.
What is the SMILES notation for CID 175741196?
The canonical SMILES for CID 175741196 is O=P(O[Al])(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of CID 175741196?
The InChIKey is SVMSODFZHQAOBR-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H11O4P.Al/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;/h1-10H,(H,13,14);/q;+1/p-1.
What are the key properties of CID 175741196?
CID 175741196 has a molecular weight of 276.16 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175741196 is sourced from PubChem (CID 175741196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).