[butoxy(phenoxymethyl)phosphoryl]methylbenzene

C18H23O3P — CID 140978848

IUPAC[butoxy(phenoxymethyl)phosphoryl]methylbenzene
SMILESCCCCOP(=O)(COc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H23O3P/c1-2-3-14-21-22(19,15-17-10-6-4-7-11-17)16-20-18-12-8-5-9-13-18/h4-13H,2-3,14-16H2,1H3
InChIKeyKVUYQRDQNFFLJR-UHFFFAOYSA-N
MW318.35 g/mol
LogP5.32
Rot. Bonds9

About [butoxy(phenoxymethyl)phosphoryl]methylbenzene

[butoxy(phenoxymethyl)phosphoryl]methylbenzene (PubChem CID 140978848) has the molecular formula C18H23O3P and a molecular weight of 318.35 g/mol. Its IUPAC name is [butoxy(phenoxymethyl)phosphoryl]methylbenzene.

Molecular Properties

Compound Name[butoxy(phenoxymethyl)phosphoryl]methylbenzene
PubChem CID140978848
Molecular FormulaC18H23O3P
Molecular Weight318.35 g/mol
Exact Mass318.14
IUPAC Name[butoxy(phenoxymethyl)phosphoryl]methylbenzene
SMILESCCCCOP(=O)(COc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H23O3P/c1-2-3-14-21-22(19,15-17-10-6-4-7-11-17)16-20-18-12-8-5-9-13-18/h4-13H,2-3,14-16H2,1H3
InChIKeyKVUYQRDQNFFLJR-UHFFFAOYSA-N
XLogP5.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.35
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 [butoxy(phenoxymethyl)phosphoryl]methylbenzene?
The IUPAC name of [butoxy(phenoxymethyl)phosphoryl]methylbenzene (CID 140978848) is [butoxy(phenoxymethyl)phosphoryl]methylbenzene.
What is the SMILES notation for [butoxy(phenoxymethyl)phosphoryl]methylbenzene?
The canonical SMILES for [butoxy(phenoxymethyl)phosphoryl]methylbenzene is CCCCOP(=O)(COc1ccccc1)Cc1ccccc1.
What is the InChIKey of [butoxy(phenoxymethyl)phosphoryl]methylbenzene?
The InChIKey is KVUYQRDQNFFLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23O3P/c1-2-3-14-21-22(19,15-17-10-6-4-7-11-17)16-20-18-12-8-5-9-13-18/h4-13H,2-3,14-16H2,1H3.
What are the key properties of [butoxy(phenoxymethyl)phosphoryl]methylbenzene?
[butoxy(phenoxymethyl)phosphoryl]methylbenzene has a molecular weight of 318.35 g/mol, XLogP of 5.32, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [butoxy(phenoxymethyl)phosphoryl]methylbenzene is sourced from PubChem (CID 140978848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).