[chloro(phenoxy)phosphoryl]oxybenzene;oxolane

C16H18ClO4P — CID 159081019

IUPAC[chloro(phenoxy)phosphoryl]oxybenzene;oxolane
SMILESC1CCOC1.O=P(Cl)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C12H10ClO3P.C4H8O/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;1-2-4-5-3-1/h1-10H;1-4H2
InChIKeyKAVWQGQCUSJFQX-UHFFFAOYSA-N
MW340.74 g/mol
LogP5.29
Rot. Bonds4

About [chloro(phenoxy)phosphoryl]oxybenzene;oxolane

[chloro(phenoxy)phosphoryl]oxybenzene;oxolane (PubChem CID 159081019) has the molecular formula C16H18ClO4P and a molecular weight of 340.74 g/mol. Its IUPAC name is [chloro(phenoxy)phosphoryl]oxybenzene;oxolane.

Molecular Properties

Compound Name[chloro(phenoxy)phosphoryl]oxybenzene;oxolane
PubChem CID159081019
Molecular FormulaC16H18ClO4P
Molecular Weight340.74 g/mol
Exact Mass340.06
IUPAC Name[chloro(phenoxy)phosphoryl]oxybenzene;oxolane
SMILESC1CCOC1.O=P(Cl)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C12H10ClO3P.C4H8O/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;1-2-4-5-3-1/h1-10H;1-4H2
InChIKeyKAVWQGQCUSJFQX-UHFFFAOYSA-N
XLogP5.29
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.74
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [chloro(phenoxy)phosphoryl]oxybenzene;oxolane?
The IUPAC name of [chloro(phenoxy)phosphoryl]oxybenzene;oxolane (CID 159081019) is [chloro(phenoxy)phosphoryl]oxybenzene;oxolane.
What is the SMILES notation for [chloro(phenoxy)phosphoryl]oxybenzene;oxolane?
The canonical SMILES for [chloro(phenoxy)phosphoryl]oxybenzene;oxolane is C1CCOC1.O=P(Cl)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of [chloro(phenoxy)phosphoryl]oxybenzene;oxolane?
The InChIKey is KAVWQGQCUSJFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClO3P.C4H8O/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;1-2-4-5-3-1/h1-10H;1-4H2.
What are the key properties of [chloro(phenoxy)phosphoryl]oxybenzene;oxolane?
[chloro(phenoxy)phosphoryl]oxybenzene;oxolane has a molecular weight of 340.74 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro(phenoxy)phosphoryl]oxybenzene;oxolane is sourced from PubChem (CID 159081019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).