[2-methylpropoxy(tridecoxy)phosphoryl]benzene

C23H41O3P — CID 91723456

IUPAC[2-methylpropoxy(tridecoxy)phosphoryl]benzene
SMILESCCCCCCCCCCCCCOP(=O)(OCC(C)C)c1ccccc1
InChIInChI=1S/C23H41O3P/c1-4-5-6-7-8-9-10-11-12-13-17-20-25-27(24,26-21-22(2)3)23-18-15-14-16-19-23/h14-16,18-19,22H,4-13,17,20-21H2,1-3H3
InChIKeyQRABQWVFPPJZFF-UHFFFAOYSA-N
MW396.55 g/mol
LogP7.51
Rot. Bonds17

About [2-methylpropoxy(tridecoxy)phosphoryl]benzene

[2-methylpropoxy(tridecoxy)phosphoryl]benzene (PubChem CID 91723456) has the molecular formula C23H41O3P and a molecular weight of 396.55 g/mol. Its IUPAC name is [2-methylpropoxy(tridecoxy)phosphoryl]benzene.

Molecular Properties

Compound Name[2-methylpropoxy(tridecoxy)phosphoryl]benzene
PubChem CID91723456
Molecular FormulaC23H41O3P
Molecular Weight396.55 g/mol
Exact Mass396.28
IUPAC Name[2-methylpropoxy(tridecoxy)phosphoryl]benzene
SMILESCCCCCCCCCCCCCOP(=O)(OCC(C)C)c1ccccc1
InChIInChI=1S/C23H41O3P/c1-4-5-6-7-8-9-10-11-12-13-17-20-25-27(24,26-21-22(2)3)23-18-15-14-16-19-23/h14-16,18-19,22H,4-13,17,20-21H2,1-3H3
InChIKeyQRABQWVFPPJZFF-UHFFFAOYSA-N
XLogP7.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.55
LogP ≤ 57.51
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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Related Compounds

di(tridecoxy)phosphorylbenzene
CID 87531060
dipropoxyphosphorylbenzene
CID 11736632
[decoxy(phenyl)phosphoryl]benzene
CID 135066173
1-butan-2-yl-4-didodecoxyphosphorylbenzene
CID 166057617
4-di(tetradecoxy)phosphoryl-1-methylpyridin-1-ium
CID 25105250
bis(2-methylpropyl) pentyl phosphate
CID 54560421
neodymium(3+);tris([(Z)-octadec-9-enoxy]-phenylphosphinate)
CID 175578267
hexoxy-diphenyl-sulfanylidene-λ5-phosphane
CID 134935003
3-[3-hydroxypropoxy(phenyl)phosphoryl]oxypropan-1-ol
CID 134483895
1-[butyl(2-methylpropoxy)phosphoryl]oxyoctadecane
CID 91716506
1-[butyl(2-methylpropoxy)phosphoryl]oxydodecane
CID 91716241
1-[butyl(2-methylpropoxy)phosphoryl]oxypentadecane
CID 91716510

Frequently Asked Questions

What is the IUPAC name of [2-methylpropoxy(tridecoxy)phosphoryl]benzene?
The IUPAC name of [2-methylpropoxy(tridecoxy)phosphoryl]benzene (CID 91723456) is [2-methylpropoxy(tridecoxy)phosphoryl]benzene.
What is the SMILES notation for [2-methylpropoxy(tridecoxy)phosphoryl]benzene?
The canonical SMILES for [2-methylpropoxy(tridecoxy)phosphoryl]benzene is CCCCCCCCCCCCCOP(=O)(OCC(C)C)c1ccccc1.
What is the InChIKey of [2-methylpropoxy(tridecoxy)phosphoryl]benzene?
The InChIKey is QRABQWVFPPJZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41O3P/c1-4-5-6-7-8-9-10-11-12-13-17-20-25-27(24,26-21-22(2)3)23-18-15-14-16-19-23/h14-16,18-19,22H,4-13,17,20-21H2,1-3H3.
What are the key properties of [2-methylpropoxy(tridecoxy)phosphoryl]benzene?
[2-methylpropoxy(tridecoxy)phosphoryl]benzene has a molecular weight of 396.55 g/mol, XLogP of 7.51, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methylpropoxy(tridecoxy)phosphoryl]benzene is sourced from PubChem (CID 91723456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).