bicyclo[4.1.0]hepta-1,3,5-triene;hydroxy-methyl-oxophosphanium

C8H10O2P+ — CID 18403077

IUPACbicyclo[4.1.0]hepta-1,3,5-triene;hydroxy-methyl-oxophosphanium
SMILESC[P+](=O)O.c1ccc2c(c1)C2
InChIInChI=1S/C7H6.CH3O2P/c1-2-4-7-5-6(7)3-1;1-4(2)3/h1-4H,5H2;1H3/p+1
InChIKeyIPFYUCJKUPNQIZ-UHFFFAOYSA-O
MW169.14 g/mol
LogP1.94
Rot. Bonds

About bicyclo[4.1.0]hepta-1,3,5-triene;hydroxy-methyl-oxophosphanium

bicyclo[4.1.0]hepta-1,3,5-triene;hydroxy-methyl-oxophosphanium (PubChem CID 18403077) has the molecular formula C8H10O2P+ and a molecular weight of 169.14 g/mol. Its IUPAC name is bicyclo[4.1.0]hepta-1,3,5-triene;hydroxy-methyl-oxophosphanium.

Molecular Properties

Compound Namebicyclo[4.1.0]hepta-1,3,5-triene;hydroxy-methyl-oxophosphanium
PubChem CID18403077
Molecular FormulaC8H10O2P+
Molecular Weight169.14 g/mol
Exact Mass169.04
IUPAC Namebicyclo[4.1.0]hepta-1,3,5-triene;hydroxy-methyl-oxophosphanium
SMILESC[P+](=O)O.c1ccc2c(c1)C2
InChIInChI=1S/C7H6.CH3O2P/c1-2-4-7-5-6(7)3-1;1-4(2)3/h1-4H,5H2;1H3/p+1
InChIKeyIPFYUCJKUPNQIZ-UHFFFAOYSA-O
XLogP1.94
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bicyclo[4.1.0]hepta-1,3,5-triene;hydroxy-methyl-oxophosphanium?
The IUPAC name of bicyclo[4.1.0]hepta-1,3,5-triene;hydroxy-methyl-oxophosphanium (CID 18403077) is bicyclo[4.1.0]hepta-1,3,5-triene;hydroxy-methyl-oxophosphanium.
What is the SMILES notation for bicyclo[4.1.0]hepta-1,3,5-triene;hydroxy-methyl-oxophosphanium?
The canonical SMILES for bicyclo[4.1.0]hepta-1,3,5-triene;hydroxy-methyl-oxophosphanium is C[P+](=O)O.c1ccc2c(c1)C2.
What is the InChIKey of bicyclo[4.1.0]hepta-1,3,5-triene;hydroxy-methyl-oxophosphanium?
The InChIKey is IPFYUCJKUPNQIZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H6.CH3O2P/c1-2-4-7-5-6(7)3-1;1-4(2)3/h1-4H,5H2;1H3/p+1.
What are the key properties of bicyclo[4.1.0]hepta-1,3,5-triene;hydroxy-methyl-oxophosphanium?
bicyclo[4.1.0]hepta-1,3,5-triene;hydroxy-methyl-oxophosphanium has a molecular weight of 169.14 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[4.1.0]hepta-1,3,5-triene;hydroxy-methyl-oxophosphanium is sourced from PubChem (CID 18403077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).