phosphenous acid;1,4-xylene

C8H11O2P — CID 88744725

IUPACphosphenous acid;1,4-xylene
SMILESCc1ccc(C)cc1.O=PO
InChIInChI=1S/C8H10.HO2P/c1-7-3-5-8(2)6-4-7;1-3-2/h3-6H,1-2H3;(H,1,2)
InChIKeyOYNZIDJNXGSHEP-UHFFFAOYSA-N
MW170.15 g/mol
LogP2.49
Rot. Bonds

About phosphenous acid;1,4-xylene

phosphenous acid;1,4-xylene (PubChem CID 88744725) has the molecular formula C8H11O2P and a molecular weight of 170.15 g/mol. Its IUPAC name is phosphenous acid;1,4-xylene.

Molecular Properties

Compound Namephosphenous acid;1,4-xylene
PubChem CID88744725
Molecular FormulaC8H11O2P
Molecular Weight170.15 g/mol
Exact Mass170.05
IUPAC Namephosphenous acid;1,4-xylene
SMILESCc1ccc(C)cc1.O=PO
InChIInChI=1S/C8H10.HO2P/c1-7-3-5-8(2)6-4-7;1-3-2/h3-6H,1-2H3;(H,1,2)
InChIKeyOYNZIDJNXGSHEP-UHFFFAOYSA-N
XLogP2.49
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.15
LogP ≤ 52.49
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 phosphenous acid;1,4-xylene?
The IUPAC name of phosphenous acid;1,4-xylene (CID 88744725) is phosphenous acid;1,4-xylene.
What is the SMILES notation for phosphenous acid;1,4-xylene?
The canonical SMILES for phosphenous acid;1,4-xylene is Cc1ccc(C)cc1.O=PO.
What is the InChIKey of phosphenous acid;1,4-xylene?
The InChIKey is OYNZIDJNXGSHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.HO2P/c1-7-3-5-8(2)6-4-7;1-3-2/h3-6H,1-2H3;(H,1,2).
What are the key properties of phosphenous acid;1,4-xylene?
phosphenous acid;1,4-xylene has a molecular weight of 170.15 g/mol, XLogP of 2.49, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phosphenous acid;1,4-xylene is sourced from PubChem (CID 88744725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).