(3,4-dimethylphenoxy)-(2-methylphenyl)phosphinic acid

C15H17O3P — CID 87625044

IUPAC(3,4-dimethylphenoxy)-(2-methylphenyl)phosphinic acid
SMILESCc1ccc(OP(=O)(O)c2ccccc2C)cc1C
InChIInChI=1S/C15H17O3P/c1-11-8-9-14(10-13(11)3)18-19(16,17)15-7-5-4-6-12(15)2/h4-10H,1-3H3,(H,16,17)
InChIKeyZHBHAJCQCIEYKX-UHFFFAOYSA-N
MW276.27 g/mol
LogP3.50
Rot. Bonds3

About (3,4-dimethylphenoxy)-(2-methylphenyl)phosphinic acid

(3,4-dimethylphenoxy)-(2-methylphenyl)phosphinic acid (PubChem CID 87625044) has the molecular formula C15H17O3P and a molecular weight of 276.27 g/mol. Its IUPAC name is (3,4-dimethylphenoxy)-(2-methylphenyl)phosphinic acid.

Molecular Properties

Compound Name(3,4-dimethylphenoxy)-(2-methylphenyl)phosphinic acid
PubChem CID87625044
Molecular FormulaC15H17O3P
Molecular Weight276.27 g/mol
Exact Mass276.09
IUPAC Name(3,4-dimethylphenoxy)-(2-methylphenyl)phosphinic acid
SMILESCc1ccc(OP(=O)(O)c2ccccc2C)cc1C
InChIInChI=1S/C15H17O3P/c1-11-8-9-14(10-13(11)3)18-19(16,17)15-7-5-4-6-12(15)2/h4-10H,1-3H3,(H,16,17)
InChIKeyZHBHAJCQCIEYKX-UHFFFAOYSA-N
XLogP3.50
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 53.50
H-Bond Donors ≤ 51
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 (3,4-dimethylphenoxy)-(2-methylphenyl)phosphinic acid?
The IUPAC name of (3,4-dimethylphenoxy)-(2-methylphenyl)phosphinic acid (CID 87625044) is (3,4-dimethylphenoxy)-(2-methylphenyl)phosphinic acid.
What is the SMILES notation for (3,4-dimethylphenoxy)-(2-methylphenyl)phosphinic acid?
The canonical SMILES for (3,4-dimethylphenoxy)-(2-methylphenyl)phosphinic acid is Cc1ccc(OP(=O)(O)c2ccccc2C)cc1C.
What is the InChIKey of (3,4-dimethylphenoxy)-(2-methylphenyl)phosphinic acid?
The InChIKey is ZHBHAJCQCIEYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17O3P/c1-11-8-9-14(10-13(11)3)18-19(16,17)15-7-5-4-6-12(15)2/h4-10H,1-3H3,(H,16,17).
What are the key properties of (3,4-dimethylphenoxy)-(2-methylphenyl)phosphinic acid?
(3,4-dimethylphenoxy)-(2-methylphenyl)phosphinic acid has a molecular weight of 276.27 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenoxy)-(2-methylphenyl)phosphinic acid is sourced from PubChem (CID 87625044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).