(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'}

Analyze (2,4-dimethoxy-3-phenylphenyl)phosphonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-methoxy-2-methyl-3-phenylphenyl)phosphonic acid
CID 89463077
2,4-dimethoxy-3-phenylaniline
CID 165495221
copper;(2-methoxyphenyl)phosphonic acid
CID 68628754
4-methoxy-2,3,5-trimethyl-6-phenylphenol;phosphoric acid
CID 160922447
1,3-dimethoxy-2-phenylbenzene;hydrochloride
CID 175871248
[4-[[(2,3-diphenyl-4-phosphonophenyl)-dimethylsilyl]oxy-dimethylsilyl]-2,3-diphenylphenyl]phosphonic acid
CID 154167711
1-[4-(2,6-dimethoxy-3-phenylphenyl)phenyl]-2,2,2-trifluoroethanone
CID 42638415
bis(3-methoxy-2-phenylphenyl)methanone
CID 141103935
2-methoxy-1-[2-(2-methoxynaphthalen-1-yl)-3,4,5,6-tetraphenylphenyl]naphthalene
CID 11017918
4-methoxy-3-phenylbenzene-1,2-diamine
CID 174361445
2,6-dimethoxy-3-phenylbenzoic acid
CID 68897922
cyclohexyl-(2,4-dimethoxy-3-phenylphenyl)phosphane
CID 67507588

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).