1,1-diphenoxypropoxyphosphane

C15H17O3P — CID 175052143

IUPAC1,1-diphenoxypropoxyphosphane
SMILESCCC(OP)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C15H17O3P/c1-2-15(18-19,16-13-9-5-3-6-10-13)17-14-11-7-4-8-12-14/h3-12H,2,19H2,1H3
InChIKeyFUZUCWWWXPPASG-UHFFFAOYSA-N
MW276.27 g/mol
LogP4.01
Rot. Bonds6

About 1,1-diphenoxypropoxyphosphane

1,1-diphenoxypropoxyphosphane (PubChem CID 175052143) has the molecular formula C15H17O3P and a molecular weight of 276.27 g/mol. Its IUPAC name is 1,1-diphenoxypropoxyphosphane.

Molecular Properties

Compound Name1,1-diphenoxypropoxyphosphane
PubChem CID175052143
Molecular FormulaC15H17O3P
Molecular Weight276.27 g/mol
Exact Mass276.09
IUPAC Name1,1-diphenoxypropoxyphosphane
SMILESCCC(OP)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C15H17O3P/c1-2-15(18-19,16-13-9-5-3-6-10-13)17-14-11-7-4-8-12-14/h3-12H,2,19H2,1H3
InChIKeyFUZUCWWWXPPASG-UHFFFAOYSA-N
XLogP4.01
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-phenoxybutan-2-ylphosphane
CID 89070581
(2-methylpropan-2-yl)oxybenzene;propane
CID 169265117
1,1-diphenoxydecoxybenzene
CID 150135541
2,2-diphenoxybutanoic acid
CID 159827255
triphenoxymethylphosphane
CID 18472089
2,4-dimethyl-4-phenoxypentan-2-amine
CID 91544651
[1-phenoxy-1-[4-[4-(1-phenoxy-1-prop-2-enoyloxypropoxy)phenyl]phenoxy]propyl] prop-2-enoate
CID 89187894
3,3-dimethyl-2-(2-methylbutan-2-yl)-2-phenoxypentanal
CID 173307371
2-phenoxy-2-phenylbutanoic acid
CID 20567350
triiodomethoxybenzene
CID 70252618
bis(decane);phenoxyphosphane
CID 91140487
2-iodopropan-2-yloxybenzene
CID 147876431

Frequently Asked Questions

What is the IUPAC name of 1,1-diphenoxypropoxyphosphane?
The IUPAC name of 1,1-diphenoxypropoxyphosphane (CID 175052143) is 1,1-diphenoxypropoxyphosphane.
What is the SMILES notation for 1,1-diphenoxypropoxyphosphane?
The canonical SMILES for 1,1-diphenoxypropoxyphosphane is CCC(OP)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of 1,1-diphenoxypropoxyphosphane?
The InChIKey is FUZUCWWWXPPASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17O3P/c1-2-15(18-19,16-13-9-5-3-6-10-13)17-14-11-7-4-8-12-14/h3-12H,2,19H2,1H3.
What are the key properties of 1,1-diphenoxypropoxyphosphane?
1,1-diphenoxypropoxyphosphane has a molecular weight of 276.27 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenoxypropoxyphosphane is sourced from PubChem (CID 175052143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).