(2,4-dimethoxy-3-phenylphenyl)phosphonic acid

C14H15O5P — CID 174858639

IUPAC(2,4-dimethoxy-3-phenylphenyl)phosphonic acid
SMILESCOc1ccc(P(=O)(O)O)c(OC)c1-c1ccccc1
InChIInChI=1S/C14H15O5P/c1-18-11-8-9-12(20(15,16)17)14(19-2)13(11)10-6-4-3-5-7-10/h3-9H,1-2H3,(H2,15,16,17)
InChIKeyICQVSCZIRNIIOX-UHFFFAOYSA-N
MW294.24 g/mol
LogP2.17
Rot. Bonds4

About (2,4-dimethoxy-3-phenylphenyl)phosphonic acid

(2,4-dimethoxy-3-phenylphenyl)phosphonic acid (PubChem CID 174858639) has the molecular formula C14H15O5P and a molecular weight of 294.24 g/mol. Its IUPAC name is (2,4-dimethoxy-3-phenylphenyl)phosphonic acid.

Molecular Properties

Compound Name(2,4-dimethoxy-3-phenylphenyl)phosphonic acid
PubChem CID174858639
Molecular FormulaC14H15O5P
Molecular Weight294.24 g/mol
Exact Mass294.07
IUPAC Name(2,4-dimethoxy-3-phenylphenyl)phosphonic acid
SMILESCOc1ccc(P(=O)(O)O)c(OC)c1-c1ccccc1
InChIInChI=1S/C14H15O5P/c1-18-11-8-9-12(20(15,16)17)14(19-2)13(11)10-6-4-3-5-7-10/h3-9H,1-2H3,(H2,15,16,17)
InChIKeyICQVSCZIRNIIOX-UHFFFAOYSA-N
XLogP2.17
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxy-3-phenylphenyl)phosphonic acid?
The IUPAC name of (2,4-dimethoxy-3-phenylphenyl)phosphonic acid (CID 174858639) is (2,4-dimethoxy-3-phenylphenyl)phosphonic acid.
What is the SMILES notation for (2,4-dimethoxy-3-phenylphenyl)phosphonic acid?
The canonical SMILES for (2,4-dimethoxy-3-phenylphenyl)phosphonic acid is COc1ccc(P(=O)(O)O)c(OC)c1-c1ccccc1.
What is the InChIKey of (2,4-dimethoxy-3-phenylphenyl)phosphonic acid?
The InChIKey is ICQVSCZIRNIIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15O5P/c1-18-11-8-9-12(20(15,16)17)14(19-2)13(11)10-6-4-3-5-7-10/h3-9H,1-2H3,(H2,15,16,17).
What are the key properties of (2,4-dimethoxy-3-phenylphenyl)phosphonic acid?
(2,4-dimethoxy-3-phenylphenyl)phosphonic acid has a molecular weight of 294.24 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxy-3-phenylphenyl)phosphonic acid is sourced from PubChem (CID 174858639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).