bis(phenylmethoxy)phosphorylboranuide

C14H17BO3P- — CID 157313450

IUPACbis(phenylmethoxy)phosphorylboranuide
SMILES[BH3-]P(=O)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C14H17BO3P/c15-19(16,17-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14/h1-10H,11-12H2,15H3/q-1
InChIKeyCDGBGVNCWOQKBN-UHFFFAOYSA-N
MW275.07 g/mol
LogP2.89
Rot. Bonds6

About bis(phenylmethoxy)phosphorylboranuide

bis(phenylmethoxy)phosphorylboranuide (PubChem CID 157313450) has the molecular formula C14H17BO3P- and a molecular weight of 275.07 g/mol. Its IUPAC name is bis(phenylmethoxy)phosphorylboranuide.

Molecular Properties

Compound Namebis(phenylmethoxy)phosphorylboranuide
PubChem CID157313450
Molecular FormulaC14H17BO3P-
Molecular Weight275.07 g/mol
Exact Mass275.10
IUPAC Namebis(phenylmethoxy)phosphorylboranuide
SMILES[BH3-]P(=O)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C14H17BO3P/c15-19(16,17-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14/h1-10H,11-12H2,15H3/q-1
InChIKeyCDGBGVNCWOQKBN-UHFFFAOYSA-N
XLogP2.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.07
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[fluoro(phenylmethoxy)phosphoryl]oxymethylbenzene
CID 14175848
dibenzyl hydrogen phosphate;silver
CID 85301331
[hydroxy(phenylmethoxy)phosphoryl]phosphonic acid
CID 87473581
benzyl ethyl methyl phosphate
CID 152677778
bis(phenylmethoxy)phosphorylformonitrile
CID 57241641
[[bromo(difluoro)methyl]-phenylmethoxyphosphoryl]oxymethylbenzene
CID 19751870
[phenylmethoxy(phenylsulfanyl)phosphoryl]oxymethylbenzene
CID 90676738
1-bis(phenylmethoxy)phosphorylethanone
CID 12524609
phenylmethoxymethylbenzene;phosphoric acid
CID 141118417
2-phenylethyl(phenylmethoxy)phosphinic acid
CID 54325821
[phenylmethoxy(prop-1-enyl)phosphoryl]oxymethylbenzene
CID 72790570
1-[methyl(phenylmethoxy)phosphoryl]ethanone
CID 118298808

Frequently Asked Questions

What is the IUPAC name of bis(phenylmethoxy)phosphorylboranuide?
The IUPAC name of bis(phenylmethoxy)phosphorylboranuide (CID 157313450) is bis(phenylmethoxy)phosphorylboranuide.
What is the SMILES notation for bis(phenylmethoxy)phosphorylboranuide?
The canonical SMILES for bis(phenylmethoxy)phosphorylboranuide is [BH3-]P(=O)(OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of bis(phenylmethoxy)phosphorylboranuide?
The InChIKey is CDGBGVNCWOQKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BO3P/c15-19(16,17-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14/h1-10H,11-12H2,15H3/q-1.
What are the key properties of bis(phenylmethoxy)phosphorylboranuide?
bis(phenylmethoxy)phosphorylboranuide has a molecular weight of 275.07 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(phenylmethoxy)phosphorylboranuide is sourced from PubChem (CID 157313450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).