[hydroxy(phenoxy)phosphoryl] octadecanoate

C24H41O5P — CID 174873653

IUPAC[hydroxy(phenoxy)phosphoryl] octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)OP(=O)(O)Oc1ccccc1
InChIInChI=1S/C24H41O5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-24(25)29-30(26,27)28-23-20-17-16-18-21-23/h16-18,20-21H,2-15,19,22H2,1H3,(H,26,27)
InChIKeyWAYVSTQSKAYKBF-UHFFFAOYSA-N
MW440.56 g/mol
LogP7.97
Rot. Bonds19

About [hydroxy(phenoxy)phosphoryl] octadecanoate

[hydroxy(phenoxy)phosphoryl] octadecanoate (PubChem CID 174873653) has the molecular formula C24H41O5P and a molecular weight of 440.56 g/mol. Its IUPAC name is [hydroxy(phenoxy)phosphoryl] octadecanoate.

Molecular Properties

Compound Name[hydroxy(phenoxy)phosphoryl] octadecanoate
PubChem CID174873653
Molecular FormulaC24H41O5P
Molecular Weight440.56 g/mol
Exact Mass440.27
IUPAC Name[hydroxy(phenoxy)phosphoryl] octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)OP(=O)(O)Oc1ccccc1
InChIInChI=1S/C24H41O5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-24(25)29-30(26,27)28-23-20-17-16-18-21-23/h16-18,20-21H,2-15,19,22H2,1H3,(H,26,27)
InChIKeyWAYVSTQSKAYKBF-UHFFFAOYSA-N
XLogP7.97
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.56
LogP ≤ 57.97
H-Bond Donors ≤ 51
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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Related Compounds

[hydroxy(phenoxy)phosphoryl] octadec-9-enoate
CID 67107887
[hydroxy(octadecanoyloxy)phosphoryl] octadecanoate
CID 50913067
hexyl phenyl hydrogen phosphate
CID 66863526
phenoxy(undecyl)phosphinic acid
CID 87383274
phenyl triacontanoate
CID 54018873
phenyl hexapentacontanoate
CID 139682998
phenyl hexacosanoate
CID 23321598
phenyl tridecanoate
CID 54389784
phenyl dopentacontanoate
CID 139682818
alumane;phenyl tetradecyl hydrogen phosphate
CID 173415537
diphenyl hydrogen phosphate;hept-2-ene
CID 160671397
alumane;phenyl octadecanoate
CID 173442753

Frequently Asked Questions

What is the IUPAC name of [hydroxy(phenoxy)phosphoryl] octadecanoate?
The IUPAC name of [hydroxy(phenoxy)phosphoryl] octadecanoate (CID 174873653) is [hydroxy(phenoxy)phosphoryl] octadecanoate.
What is the SMILES notation for [hydroxy(phenoxy)phosphoryl] octadecanoate?
The canonical SMILES for [hydroxy(phenoxy)phosphoryl] octadecanoate is CCCCCCCCCCCCCCCCCC(=O)OP(=O)(O)Oc1ccccc1.
What is the InChIKey of [hydroxy(phenoxy)phosphoryl] octadecanoate?
The InChIKey is WAYVSTQSKAYKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41O5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-24(25)29-30(26,27)28-23-20-17-16-18-21-23/h16-18,20-21H,2-15,19,22H2,1H3,(H,26,27).
What are the key properties of [hydroxy(phenoxy)phosphoryl] octadecanoate?
[hydroxy(phenoxy)phosphoryl] octadecanoate has a molecular weight of 440.56 g/mol, XLogP of 7.97, 19 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy(phenoxy)phosphoryl] octadecanoate is sourced from PubChem (CID 174873653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).