methylphosphonic acid;phenol

C13H17O5P — CID 175231709

IUPACmethylphosphonic acid;phenol
SMILESCP(=O)(O)O.Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/2C6H6O.CH5O3P/c2*7-6-4-2-1-3-5-6;1-5(2,3)4/h2*1-5,7H;1H3,(H2,2,3,4)
InChIKeyMFHYCZJOTRYKKI-UHFFFAOYSA-N
MW284.25 g/mol
LogP2.58
Rot. Bonds

About methylphosphonic acid;phenol

methylphosphonic acid;phenol (PubChem CID 175231709) has the molecular formula C13H17O5P and a molecular weight of 284.25 g/mol. Its IUPAC name is methylphosphonic acid;phenol.

Molecular Properties

Compound Namemethylphosphonic acid;phenol
PubChem CID175231709
Molecular FormulaC13H17O5P
Molecular Weight284.25 g/mol
Exact Mass284.08
IUPAC Namemethylphosphonic acid;phenol
SMILESCP(=O)(O)O.Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/2C6H6O.CH5O3P/c2*7-6-4-2-1-3-5-6;1-5(2,3)4/h2*1-5,7H;1H3,(H2,2,3,4)
InChIKeyMFHYCZJOTRYKKI-UHFFFAOYSA-N
XLogP2.58
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.25
LogP ≤ 52.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

phenol;phosphoric acid
CID 157339539
carbonic acid;phenol;phosphoric acid
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benzene;formaldehyde;phenol;hydrate
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ethane;phenol
CID 161156308
ethene;phenol
CID 22228706
molecular oxygen;phenol
CID 141080591
acetic acid;phenol
CID 70537927
aluminum;phenol;phosphate;hydrate
CID 175894244
CID 67496590
CID 67496590
phenol;phosphane
CID 159689182
CID 159904044
CID 159904044
aluminum phenol
CID 19023057

Frequently Asked Questions

What is the IUPAC name of methylphosphonic acid;phenol?
The IUPAC name of methylphosphonic acid;phenol (CID 175231709) is methylphosphonic acid;phenol.
What is the SMILES notation for methylphosphonic acid;phenol?
The canonical SMILES for methylphosphonic acid;phenol is CP(=O)(O)O.Oc1ccccc1.Oc1ccccc1.
What is the InChIKey of methylphosphonic acid;phenol?
The InChIKey is MFHYCZJOTRYKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H6O.CH5O3P/c2*7-6-4-2-1-3-5-6;1-5(2,3)4/h2*1-5,7H;1H3,(H2,2,3,4).
What are the key properties of methylphosphonic acid;phenol?
methylphosphonic acid;phenol has a molecular weight of 284.25 g/mol, XLogP of 2.58, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylphosphonic acid;phenol is sourced from PubChem (CID 175231709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).