CID 101100200

C5H4O2P- — CID 101100200

IUPAC—
SMILESC1=CC2=C[CH-]OP2O1
InChIInChI=1S/C5H4O2P/c1-3-6-8-5(1)2-4-7-8/h1-4H/q-1
InChIKeyRIFMJYWNAVHWJA-UHFFFAOYSA-N
MW127.06 g/mol
LogP1.92
Rot. Bonds

About CID 101100200

CID 101100200 (PubChem CID 101100200) has the molecular formula C5H4O2P- and a molecular weight of 127.06 g/mol.

Molecular Properties

Compound NameCID 101100200
PubChem CID101100200
Molecular FormulaC5H4O2P-
Molecular Weight127.06 g/mol
Exact Mass127.00
IUPAC Name—
SMILESC1=CC2=C[CH-]OP2O1
InChIInChI=1S/C5H4O2P/c1-3-6-8-5(1)2-4-7-8/h1-4H/q-1
InChIKeyRIFMJYWNAVHWJA-UHFFFAOYSA-N
XLogP1.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.06
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 101100200?
The IUPAC name of CID 101100200 (CID 101100200) is not available.
What is the SMILES notation for CID 101100200?
The canonical SMILES for CID 101100200 is C1=CC2=C[CH-]OP2O1.
What is the InChIKey of CID 101100200?
The InChIKey is RIFMJYWNAVHWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4O2P/c1-3-6-8-5(1)2-4-7-8/h1-4H/q-1.
What are the key properties of CID 101100200?
CID 101100200 has a molecular weight of 127.06 g/mol, XLogP of 1.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101100200 is sourced from PubChem (CID 101100200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).