[4-(methylamino)phenyl]phosphonic acid

C7H10NO3P — CID 3025322

IUPAC[4-(methylamino)phenyl]phosphonic acid
SMILESCNc1ccc(P(=O)(O)O)cc1
InChIInChI=1S/C7H10NO3P/c1-8-6-2-4-7(5-3-6)12(9,10)11/h2-5,8H,1H3,(H2,9,10,11)
InChIKeyQCYXQNFMQMWMQF-UHFFFAOYSA-N
MW187.14 g/mol
LogP0.53
Rot. Bonds2

About [4-(methylamino)phenyl]phosphonic acid

[4-(methylamino)phenyl]phosphonic acid (PubChem CID 3025322) has the molecular formula C7H10NO3P and a molecular weight of 187.14 g/mol. Its IUPAC name is [4-(methylamino)phenyl]phosphonic acid.

Molecular Properties

Compound Name[4-(methylamino)phenyl]phosphonic acid
PubChem CID3025322
Molecular FormulaC7H10NO3P
Molecular Weight187.14 g/mol
Exact Mass187.04
IUPAC Name[4-(methylamino)phenyl]phosphonic acid
SMILESCNc1ccc(P(=O)(O)O)cc1
InChIInChI=1S/C7H10NO3P/c1-8-6-2-4-7(5-3-6)12(9,10)11/h2-5,8H,1H3,(H2,9,10,11)
InChIKeyQCYXQNFMQMWMQF-UHFFFAOYSA-N
XLogP0.53
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.14
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)phenyl]phosphonic acid?
The IUPAC name of [4-(methylamino)phenyl]phosphonic acid (CID 3025322) is [4-(methylamino)phenyl]phosphonic acid.
What is the SMILES notation for [4-(methylamino)phenyl]phosphonic acid?
The canonical SMILES for [4-(methylamino)phenyl]phosphonic acid is CNc1ccc(P(=O)(O)O)cc1.
What is the InChIKey of [4-(methylamino)phenyl]phosphonic acid?
The InChIKey is QCYXQNFMQMWMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10NO3P/c1-8-6-2-4-7(5-3-6)12(9,10)11/h2-5,8H,1H3,(H2,9,10,11).
What are the key properties of [4-(methylamino)phenyl]phosphonic acid?
[4-(methylamino)phenyl]phosphonic acid has a molecular weight of 187.14 g/mol, XLogP of 0.53, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)phenyl]phosphonic acid is sourced from PubChem (CID 3025322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).