bis(4-methoxyphenyl)phosphanylboranuide

C14H17BO2P- — CID 158317983

IUPACbis(4-methoxyphenyl)phosphanylboranuide
SMILES[BH3-]P(c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C14H17BO2P/c1-16-11-3-7-13(8-4-11)18(15)14-9-5-12(17-2)6-10-14/h3-10H,1-2,15H3/q-1
InChIKeyJQXXVWXFUDONFQ-UHFFFAOYSA-N
MW259.07 g/mol
LogP1.42
Rot. Bonds4

About bis(4-methoxyphenyl)phosphanylboranuide

bis(4-methoxyphenyl)phosphanylboranuide (PubChem CID 158317983) has the molecular formula C14H17BO2P- and a molecular weight of 259.07 g/mol. Its IUPAC name is bis(4-methoxyphenyl)phosphanylboranuide.

Molecular Properties

Compound Namebis(4-methoxyphenyl)phosphanylboranuide
PubChem CID158317983
Molecular FormulaC14H17BO2P-
Molecular Weight259.07 g/mol
Exact Mass259.11
IUPAC Namebis(4-methoxyphenyl)phosphanylboranuide
SMILES[BH3-]P(c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C14H17BO2P/c1-16-11-3-7-13(8-4-11)18(15)14-9-5-12(17-2)6-10-14/h3-10H,1-2,15H3/q-1
InChIKeyJQXXVWXFUDONFQ-UHFFFAOYSA-N
XLogP1.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.07
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

nickel;tetrakis(tris(4-methoxyphenyl)phosphane)
CID 161091437
[(2S,3S)-3-bis(4-methoxyphenyl)phosphanylbutan-2-yl]-bis(4-methoxyphenyl)phosphane
CID 102263454
dichlororuthenium;tris(4-methoxyphenyl)phosphane
CID 134991883
chloro-(4-methoxyphenyl)-methylphosphane
CID 18780199
methoxy-bis(4-methoxyphenyl)phosphane;hydrobromide
CID 175052156
[2-bis(4-methoxyphenyl)phosphanylphenyl]-bis(4-methoxyphenyl)phosphane
CID 87320481
1,4-dimethoxybenzene;molecular nitrogen;hydrochloride
CID 173452430
1-(113C)methoxy-4-methylbenzene
CID 166176950
bis(1-methoxy-4-[(4-methoxyphenyl)diselanyl]benzene);hydrate
CID 175536149
copper;[4-[(4-methoxyphenyl)-(4-methyloxoniophenyl)phosphanyl]phenyl]-methyloxidanium;tris(4-methoxyphenyl)phosphane
CID 102442136
(4-methoxyphenyl)silane
CID 100998160
CID 12607295
CID 12607295

Frequently Asked Questions

What is the IUPAC name of bis(4-methoxyphenyl)phosphanylboranuide?
The IUPAC name of bis(4-methoxyphenyl)phosphanylboranuide (CID 158317983) is bis(4-methoxyphenyl)phosphanylboranuide.
What is the SMILES notation for bis(4-methoxyphenyl)phosphanylboranuide?
The canonical SMILES for bis(4-methoxyphenyl)phosphanylboranuide is [BH3-]P(c1ccc(OC)cc1)c1ccc(OC)cc1.
What is the InChIKey of bis(4-methoxyphenyl)phosphanylboranuide?
The InChIKey is JQXXVWXFUDONFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BO2P/c1-16-11-3-7-13(8-4-11)18(15)14-9-5-12(17-2)6-10-14/h3-10H,1-2,15H3/q-1.
What are the key properties of bis(4-methoxyphenyl)phosphanylboranuide?
bis(4-methoxyphenyl)phosphanylboranuide has a molecular weight of 259.07 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methoxyphenyl)phosphanylboranuide is sourced from PubChem (CID 158317983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).