1-diphenylphosphoryl-4-phenylmethoxybenzene

C25H21O2P — CID 86086109

IUPAC1-diphenylphosphoryl-4-phenylmethoxybenzene
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C25H21O2P/c26-28(23-12-6-2-7-13-23,24-14-8-3-9-15-24)25-18-16-22(17-19-25)27-20-21-10-4-1-5-11-21/h1-19H,20H2
InChIKeySKLTYUOBZBFWFD-UHFFFAOYSA-N
MW384.42 g/mol
LogP4.91
Rot. Bonds6

About 1-diphenylphosphoryl-4-phenylmethoxybenzene

1-diphenylphosphoryl-4-phenylmethoxybenzene (PubChem CID 86086109) has the molecular formula C25H21O2P and a molecular weight of 384.42 g/mol. Its IUPAC name is 1-diphenylphosphoryl-4-phenylmethoxybenzene.

Molecular Properties

Compound Name1-diphenylphosphoryl-4-phenylmethoxybenzene
PubChem CID86086109
Molecular FormulaC25H21O2P
Molecular Weight384.42 g/mol
Exact Mass384.13
IUPAC Name1-diphenylphosphoryl-4-phenylmethoxybenzene
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C25H21O2P/c26-28(23-12-6-2-7-13-23,24-14-8-3-9-15-24)25-18-16-22(17-19-25)27-20-21-10-4-1-5-11-21/h1-19H,20H2
InChIKeySKLTYUOBZBFWFD-UHFFFAOYSA-N
XLogP4.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 54.91
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

1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
CID 156694250
1-phenylmethoxy-4-[9-(4-phenylmethoxyphenoxy)nonoxy]benzene
CID 43835980
(4-phenylmethoxyphenyl) hypobromite
CID 151898979
4-phenylmethoxyaniline
CID 159966727
4-phenylmethoxybenzoic acid
CID 68896574
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
phenoxymethylbenzene;sulfuric acid
CID 68982967
N-methyl-4-phenylmethoxyaniline;hydrochloride
CID 75481675
fluoromethane;1-methyl-4-phenylmethoxybenzene
CID 91304163
ethene;1-ethoxy-4-phenylmethoxybenzene
CID 174705965
1-phenylmethoxy-4-propoxybenzene
CID 10728874
1-methoxy-4-[phenyl(phenylmethoxy)phosphoryl]benzene
CID 175093390

Frequently Asked Questions

What is the IUPAC name of 1-diphenylphosphoryl-4-phenylmethoxybenzene?
The IUPAC name of 1-diphenylphosphoryl-4-phenylmethoxybenzene (CID 86086109) is 1-diphenylphosphoryl-4-phenylmethoxybenzene.
What is the SMILES notation for 1-diphenylphosphoryl-4-phenylmethoxybenzene?
The canonical SMILES for 1-diphenylphosphoryl-4-phenylmethoxybenzene is O=P(c1ccccc1)(c1ccccc1)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 1-diphenylphosphoryl-4-phenylmethoxybenzene?
The InChIKey is SKLTYUOBZBFWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21O2P/c26-28(23-12-6-2-7-13-23,24-14-8-3-9-15-24)25-18-16-22(17-19-25)27-20-21-10-4-1-5-11-21/h1-19H,20H2.
What are the key properties of 1-diphenylphosphoryl-4-phenylmethoxybenzene?
1-diphenylphosphoryl-4-phenylmethoxybenzene has a molecular weight of 384.42 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diphenylphosphoryl-4-phenylmethoxybenzene is sourced from PubChem (CID 86086109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).