[chloro(cyclohexa-2,4-dien-1-yloxy)phosphoryl]oxybenzene

C12H12ClO3P — CID 163860196

IUPAC[chloro(cyclohexa-2,4-dien-1-yloxy)phosphoryl]oxybenzene
SMILESO=P(Cl)(Oc1ccccc1)OC1C=CC=CC1
InChIInChI=1S/C12H12ClO3P/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-9,12H,10H2
InChIKeyPBVHFLNOPHXNNK-UHFFFAOYSA-N
MW270.65 g/mol
LogP4.31
Rot. Bonds4

About [chloro(cyclohexa-2,4-dien-1-yloxy)phosphoryl]oxybenzene

[chloro(cyclohexa-2,4-dien-1-yloxy)phosphoryl]oxybenzene (PubChem CID 163860196) has the molecular formula C12H12ClO3P and a molecular weight of 270.65 g/mol. Its IUPAC name is [chloro(cyclohexa-2,4-dien-1-yloxy)phosphoryl]oxybenzene.

Molecular Properties

Compound Name[chloro(cyclohexa-2,4-dien-1-yloxy)phosphoryl]oxybenzene
PubChem CID163860196
Molecular FormulaC12H12ClO3P
Molecular Weight270.65 g/mol
Exact Mass270.02
IUPAC Name[chloro(cyclohexa-2,4-dien-1-yloxy)phosphoryl]oxybenzene
SMILESO=P(Cl)(Oc1ccccc1)OC1C=CC=CC1
InChIInChI=1S/C12H12ClO3P/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-9,12H,10H2
InChIKeyPBVHFLNOPHXNNK-UHFFFAOYSA-N
XLogP4.31
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.65
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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(cyclohexa-2,4-dien-1-yloxy)phosphoryl]oxybenzene?
The IUPAC name of [chloro(cyclohexa-2,4-dien-1-yloxy)phosphoryl]oxybenzene (CID 163860196) is [chloro(cyclohexa-2,4-dien-1-yloxy)phosphoryl]oxybenzene.
What is the SMILES notation for [chloro(cyclohexa-2,4-dien-1-yloxy)phosphoryl]oxybenzene?
The canonical SMILES for [chloro(cyclohexa-2,4-dien-1-yloxy)phosphoryl]oxybenzene is O=P(Cl)(Oc1ccccc1)OC1C=CC=CC1.
What is the InChIKey of [chloro(cyclohexa-2,4-dien-1-yloxy)phosphoryl]oxybenzene?
The InChIKey is PBVHFLNOPHXNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClO3P/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-9,12H,10H2.
What are the key properties of [chloro(cyclohexa-2,4-dien-1-yloxy)phosphoryl]oxybenzene?
[chloro(cyclohexa-2,4-dien-1-yloxy)phosphoryl]oxybenzene has a molecular weight of 270.65 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro(cyclohexa-2,4-dien-1-yloxy)phosphoryl]oxybenzene is sourced from PubChem (CID 163860196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).