6-phosphanyliminocyclohexa-1,3-dien-1-ol

C6H8NOP — CID 68719891

IUPAC6-phosphanyliminocyclohexa-1,3-dien-1-ol
SMILESOC1=CC=CCC1=NP
InChIInChI=1S/C6H8NOP/c8-6-4-2-1-3-5(6)7-9/h1-2,4,8H,3,9H2
InChIKeyXDQNFGNZEQPCEH-UHFFFAOYSA-N
MW141.11 g/mol
LogP1.62
Rot. Bonds

About 6-phosphanyliminocyclohexa-1,3-dien-1-ol

6-phosphanyliminocyclohexa-1,3-dien-1-ol (PubChem CID 68719891) has the molecular formula C6H8NOP and a molecular weight of 141.11 g/mol. Its IUPAC name is 6-phosphanyliminocyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name6-phosphanyliminocyclohexa-1,3-dien-1-ol
PubChem CID68719891
Molecular FormulaC6H8NOP
Molecular Weight141.11 g/mol
Exact Mass141.03
IUPAC Name6-phosphanyliminocyclohexa-1,3-dien-1-ol
SMILESOC1=CC=CCC1=NP
InChIInChI=1S/C6H8NOP/c8-6-4-2-1-3-5(6)7-9/h1-2,4,8H,3,9H2
InChIKeyXDQNFGNZEQPCEH-UHFFFAOYSA-N
XLogP1.62
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.11
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

6-Iminocyclohexa-1,3-dien-1-ol
CID 19925748
6-Diazocyclohexa-1,3-dien-1-ol
CID 20336203
6-Iminocyclohexa-1,3-dien-1-ol;zirconium
CID 87078296
6-Hydroxyiminocyclohexa-1,3-dien-1-ol
CID 87408382
6-Hydrazinylidenecyclohexa-1,3-dien-1-ol
CID 89870111
6-Methyliminocyclohexa-1,3-dien-1-ol
CID 70502940

Frequently Asked Questions

What is the IUPAC name of 6-phosphanyliminocyclohexa-1,3-dien-1-ol?
The IUPAC name of 6-phosphanyliminocyclohexa-1,3-dien-1-ol (CID 68719891) is 6-phosphanyliminocyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 6-phosphanyliminocyclohexa-1,3-dien-1-ol?
The canonical SMILES for 6-phosphanyliminocyclohexa-1,3-dien-1-ol is OC1=CC=CCC1=NP.
What is the InChIKey of 6-phosphanyliminocyclohexa-1,3-dien-1-ol?
The InChIKey is XDQNFGNZEQPCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8NOP/c8-6-4-2-1-3-5(6)7-9/h1-2,4,8H,3,9H2.
What are the key properties of 6-phosphanyliminocyclohexa-1,3-dien-1-ol?
6-phosphanyliminocyclohexa-1,3-dien-1-ol has a molecular weight of 141.11 g/mol, XLogP of 1.62, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phosphanyliminocyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 68719891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).