1-[[ethoxy(nonyl)phosphoryl]oxymethyl]-3-phenoxybenzene

C24H35O4P — CID 5272055

IUPAC1-[[ethoxy(nonyl)phosphoryl]oxymethyl]-3-phenoxybenzene
SMILESCCCCCCCCCP(=O)(OCC)OCc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C24H35O4P/c1-3-5-6-7-8-9-13-19-29(25,26-4-2)27-21-22-15-14-18-24(20-22)28-23-16-11-10-12-17-23/h10-12,14-18,20H,3-9,13,19,21H2,1-2H3
InChIKeyGCLXEWNXWRZDME-UHFFFAOYSA-N
MW418.51 g/mol
LogP7.98
Rot. Bonds15

About 1-[[ethoxy(nonyl)phosphoryl]oxymethyl]-3-phenoxybenzene

1-[[ethoxy(nonyl)phosphoryl]oxymethyl]-3-phenoxybenzene (PubChem CID 5272055) has the molecular formula C24H35O4P and a molecular weight of 418.51 g/mol. Its IUPAC name is 1-[[ethoxy(nonyl)phosphoryl]oxymethyl]-3-phenoxybenzene.

Molecular Properties

Compound Name1-[[ethoxy(nonyl)phosphoryl]oxymethyl]-3-phenoxybenzene
PubChem CID5272055
Molecular FormulaC24H35O4P
Molecular Weight418.51 g/mol
Exact Mass418.23
IUPAC Name1-[[ethoxy(nonyl)phosphoryl]oxymethyl]-3-phenoxybenzene
SMILESCCCCCCCCCP(=O)(OCC)OCc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C24H35O4P/c1-3-5-6-7-8-9-13-19-29(25,26-4-2)27-21-22-15-14-18-24(20-22)28-23-16-11-10-12-17-23/h10-12,14-18,20H,3-9,13,19,21H2,1-2H3
InChIKeyGCLXEWNXWRZDME-UHFFFAOYSA-N
XLogP7.98
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.51
LogP ≤ 57.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[ethoxy(nonyl)phosphoryl]oxymethyl]-3-phenoxybenzene?
The IUPAC name of 1-[[ethoxy(nonyl)phosphoryl]oxymethyl]-3-phenoxybenzene (CID 5272055) is 1-[[ethoxy(nonyl)phosphoryl]oxymethyl]-3-phenoxybenzene.
What is the SMILES notation for 1-[[ethoxy(nonyl)phosphoryl]oxymethyl]-3-phenoxybenzene?
The canonical SMILES for 1-[[ethoxy(nonyl)phosphoryl]oxymethyl]-3-phenoxybenzene is CCCCCCCCCP(=O)(OCC)OCc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 1-[[ethoxy(nonyl)phosphoryl]oxymethyl]-3-phenoxybenzene?
The InChIKey is GCLXEWNXWRZDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35O4P/c1-3-5-6-7-8-9-13-19-29(25,26-4-2)27-21-22-15-14-18-24(20-22)28-23-16-11-10-12-17-23/h10-12,14-18,20H,3-9,13,19,21H2,1-2H3.
What are the key properties of 1-[[ethoxy(nonyl)phosphoryl]oxymethyl]-3-phenoxybenzene?
1-[[ethoxy(nonyl)phosphoryl]oxymethyl]-3-phenoxybenzene has a molecular weight of 418.51 g/mol, XLogP of 7.98, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[ethoxy(nonyl)phosphoryl]oxymethyl]-3-phenoxybenzene is sourced from PubChem (CID 5272055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).