(4-methoxy-2-methyl-3-phenylphenyl)phosphonic acid

C14H15O4P — CID 89463077

IUPAC(4-methoxy-2-methyl-3-phenylphenyl)phosphonic acid
SMILESCOc1ccc(P(=O)(O)O)c(C)c1-c1ccccc1
InChIInChI=1S/C14H15O4P/c1-10-13(19(15,16)17)9-8-12(18-2)14(10)11-6-4-3-5-7-11/h3-9H,1-2H3,(H2,15,16,17)
InChIKeyZHWNMDPVHGQTQE-UHFFFAOYSA-N
MW278.24 g/mol
LogP2.47
Rot. Bonds3

About (4-methoxy-2-methyl-3-phenylphenyl)phosphonic acid

(4-methoxy-2-methyl-3-phenylphenyl)phosphonic acid (PubChem CID 89463077) has the molecular formula C14H15O4P and a molecular weight of 278.24 g/mol. Its IUPAC name is (4-methoxy-2-methyl-3-phenylphenyl)phosphonic acid.

Molecular Properties

Compound Name(4-methoxy-2-methyl-3-phenylphenyl)phosphonic acid
PubChem CID89463077
Molecular FormulaC14H15O4P
Molecular Weight278.24 g/mol
Exact Mass278.07
IUPAC Name(4-methoxy-2-methyl-3-phenylphenyl)phosphonic acid
SMILESCOc1ccc(P(=O)(O)O)c(C)c1-c1ccccc1
InChIInChI=1S/C14H15O4P/c1-10-13(19(15,16)17)9-8-12(18-2)14(10)11-6-4-3-5-7-11/h3-9H,1-2H3,(H2,15,16,17)
InChIKeyZHWNMDPVHGQTQE-UHFFFAOYSA-N
XLogP2.47
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 52.47
H-Bond Donors ≤ 52
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-methoxy-2-methyl-3-phenylphenyl)phosphonic acid?
The IUPAC name of (4-methoxy-2-methyl-3-phenylphenyl)phosphonic acid (CID 89463077) is (4-methoxy-2-methyl-3-phenylphenyl)phosphonic acid.
What is the SMILES notation for (4-methoxy-2-methyl-3-phenylphenyl)phosphonic acid?
The canonical SMILES for (4-methoxy-2-methyl-3-phenylphenyl)phosphonic acid is COc1ccc(P(=O)(O)O)c(C)c1-c1ccccc1.
What is the InChIKey of (4-methoxy-2-methyl-3-phenylphenyl)phosphonic acid?
The InChIKey is ZHWNMDPVHGQTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15O4P/c1-10-13(19(15,16)17)9-8-12(18-2)14(10)11-6-4-3-5-7-11/h3-9H,1-2H3,(H2,15,16,17).
What are the key properties of (4-methoxy-2-methyl-3-phenylphenyl)phosphonic acid?
(4-methoxy-2-methyl-3-phenylphenyl)phosphonic acid has a molecular weight of 278.24 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2-methyl-3-phenylphenyl)phosphonic acid is sourced from PubChem (CID 89463077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).