[1-methoxypropyl(phenoxy)phosphoryl]oxybenzene

C16H19O4P — CID 89300438

IUPAC[1-methoxypropyl(phenoxy)phosphoryl]oxybenzene
SMILESCCC(OC)P(=O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C16H19O4P/c1-3-16(18-2)21(17,19-14-10-6-4-7-11-14)20-15-12-8-5-9-13-15/h4-13,16H,3H2,1-2H3
InChIKeyQMSZJRSHYJJMJX-UHFFFAOYSA-N
MW306.30 g/mol
LogP4.72
Rot. Bonds7

About [1-methoxypropyl(phenoxy)phosphoryl]oxybenzene

[1-methoxypropyl(phenoxy)phosphoryl]oxybenzene (PubChem CID 89300438) has the molecular formula C16H19O4P and a molecular weight of 306.30 g/mol. Its IUPAC name is [1-methoxypropyl(phenoxy)phosphoryl]oxybenzene.

Molecular Properties

Compound Name[1-methoxypropyl(phenoxy)phosphoryl]oxybenzene
PubChem CID89300438
Molecular FormulaC16H19O4P
Molecular Weight306.30 g/mol
Exact Mass306.10
IUPAC Name[1-methoxypropyl(phenoxy)phosphoryl]oxybenzene
SMILESCCC(OC)P(=O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C16H19O4P/c1-3-16(18-2)21(17,19-14-10-6-4-7-11-14)20-15-12-8-5-9-13-15/h4-13,16H,3H2,1-2H3
InChIKeyQMSZJRSHYJJMJX-UHFFFAOYSA-N
XLogP4.72
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-phenoxypropylphosphonic acid
CID 22151507
[methoxy(methyl)phosphoryl]oxybenzene
CID 564592
diphenoxyphosphoryl diphenyl phosphate;propane
CID 162105616
pentan-3-yl phenyl hydrogen phosphate
CID 175461995
2-methylpropane;triphenyl phosphate
CID 91193965
zinc ethyl(phenoxy)phosphinate
CID 118975861
1,3-bis[[methyl(phenoxy)phosphoryl]oxy]benzene;ethane
CID 160703248
[2-[1-(2-diphenoxyphosphoryloxyphenyl)propyl]phenyl] diphenyl phosphate
CID 54005902
bis(2-methylbutan-2-yl) phenyl phosphate
CID 174786523
N-ethyl-N-[methyl(phenoxy)phosphoryl]oxyethanamine
CID 152707624
[methoxy-[[methoxy(phenoxy)phosphoryl]methyl]phosphoryl]oxybenzene;dihydrate
CID 87979302
(S)-diphenoxyphosphoryl(phenyl)methanol
CID 36690824

Frequently Asked Questions

What is the IUPAC name of [1-methoxypropyl(phenoxy)phosphoryl]oxybenzene?
The IUPAC name of [1-methoxypropyl(phenoxy)phosphoryl]oxybenzene (CID 89300438) is [1-methoxypropyl(phenoxy)phosphoryl]oxybenzene.
What is the SMILES notation for [1-methoxypropyl(phenoxy)phosphoryl]oxybenzene?
The canonical SMILES for [1-methoxypropyl(phenoxy)phosphoryl]oxybenzene is CCC(OC)P(=O)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of [1-methoxypropyl(phenoxy)phosphoryl]oxybenzene?
The InChIKey is QMSZJRSHYJJMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19O4P/c1-3-16(18-2)21(17,19-14-10-6-4-7-11-14)20-15-12-8-5-9-13-15/h4-13,16H,3H2,1-2H3.
What are the key properties of [1-methoxypropyl(phenoxy)phosphoryl]oxybenzene?
[1-methoxypropyl(phenoxy)phosphoryl]oxybenzene has a molecular weight of 306.30 g/mol, XLogP of 4.72, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methoxypropyl(phenoxy)phosphoryl]oxybenzene is sourced from PubChem (CID 89300438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).