[phenylmethoxy(2,2,4,4-tetramethylpentan-3-yl)phosphoryl]oxymethylbenzene

C23H33O3P — CID 173485287

IUPAC[phenylmethoxy(2,2,4,4-tetramethylpentan-3-yl)phosphoryl]oxymethylbenzene
SMILESCC(C)(C)C(C(C)(C)C)P(=O)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C23H33O3P/c1-22(2,3)21(23(4,5)6)27(24,25-17-19-13-9-7-10-14-19)26-18-20-15-11-8-12-16-20/h7-16,21H,17-18H2,1-6H3
InChIKeyBXKFRUTUYZSBFN-UHFFFAOYSA-N
MW388.49 g/mol
LogP7.07
Rot. Bonds7

About [phenylmethoxy(2,2,4,4-tetramethylpentan-3-yl)phosphoryl]oxymethylbenzene

[phenylmethoxy(2,2,4,4-tetramethylpentan-3-yl)phosphoryl]oxymethylbenzene (PubChem CID 173485287) has the molecular formula C23H33O3P and a molecular weight of 388.49 g/mol. Its IUPAC name is [phenylmethoxy(2,2,4,4-tetramethylpentan-3-yl)phosphoryl]oxymethylbenzene.

Molecular Properties

Compound Name[phenylmethoxy(2,2,4,4-tetramethylpentan-3-yl)phosphoryl]oxymethylbenzene
PubChem CID173485287
Molecular FormulaC23H33O3P
Molecular Weight388.49 g/mol
Exact Mass388.22
IUPAC Name[phenylmethoxy(2,2,4,4-tetramethylpentan-3-yl)phosphoryl]oxymethylbenzene
SMILESCC(C)(C)C(C(C)(C)C)P(=O)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C23H33O3P/c1-22(2,3)21(23(4,5)6)27(24,25-17-19-13-9-7-10-14-19)26-18-20-15-11-8-12-16-20/h7-16,21H,17-18H2,1-6H3
InChIKeyBXKFRUTUYZSBFN-UHFFFAOYSA-N
XLogP7.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.49
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-bis(phenylmethoxy)phosphoryl-2-methylpropan-1-amine
CID 134924285
N-[1-bis(phenylmethoxy)phosphoryl-2,2-dimethylpropyl]-N-tert-butylhydroxylamine
CID 22041931
1-bis(phenylmethoxy)phosphoryl-2,2-dimethylpropan-1-one
CID 23002023
benzyl tert-butyl hydrogen phosphate
CID 140989025
1-bis(phenylmethoxy)phosphorylethanone
CID 12524609
(E)-1-bis(phenylmethoxy)phosphoryl-3-phenylprop-2-en-1-ol
CID 5470783
bis(phenylmethoxy)phosphorylboranuide
CID 157313450
[fluoro(phenylmethoxy)phosphoryl]oxymethylbenzene
CID 14175848
[2-methylbutan-2-yloxymethyl(phenylmethoxy)phosphoryl]oxymethylbenzene
CID 58944428
[methyl(propan-2-yloxy)phosphoryl]oxymethylbenzene
CID 87190158
phenyl N-[1-bis(phenylmethoxy)phosphorylethyl]-N-hydroxycarbamate
CID 10527113
dibenzyl hydrogen phosphate;silver
CID 85301331

Frequently Asked Questions

What is the IUPAC name of [phenylmethoxy(2,2,4,4-tetramethylpentan-3-yl)phosphoryl]oxymethylbenzene?
The IUPAC name of [phenylmethoxy(2,2,4,4-tetramethylpentan-3-yl)phosphoryl]oxymethylbenzene (CID 173485287) is [phenylmethoxy(2,2,4,4-tetramethylpentan-3-yl)phosphoryl]oxymethylbenzene.
What is the SMILES notation for [phenylmethoxy(2,2,4,4-tetramethylpentan-3-yl)phosphoryl]oxymethylbenzene?
The canonical SMILES for [phenylmethoxy(2,2,4,4-tetramethylpentan-3-yl)phosphoryl]oxymethylbenzene is CC(C)(C)C(C(C)(C)C)P(=O)(OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of [phenylmethoxy(2,2,4,4-tetramethylpentan-3-yl)phosphoryl]oxymethylbenzene?
The InChIKey is BXKFRUTUYZSBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33O3P/c1-22(2,3)21(23(4,5)6)27(24,25-17-19-13-9-7-10-14-19)26-18-20-15-11-8-12-16-20/h7-16,21H,17-18H2,1-6H3.
What are the key properties of [phenylmethoxy(2,2,4,4-tetramethylpentan-3-yl)phosphoryl]oxymethylbenzene?
[phenylmethoxy(2,2,4,4-tetramethylpentan-3-yl)phosphoryl]oxymethylbenzene has a molecular weight of 388.49 g/mol, XLogP of 7.07, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [phenylmethoxy(2,2,4,4-tetramethylpentan-3-yl)phosphoryl]oxymethylbenzene is sourced from PubChem (CID 173485287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).