(4-methylphenyl)-(4-methyl-2-phenylphenoxy)phosphinic acid

C20H19O3P — CID 87624270

IUPAC(4-methylphenyl)-(4-methyl-2-phenylphenoxy)phosphinic acid
SMILESCc1ccc(P(=O)(O)Oc2ccc(C)cc2-c2ccccc2)cc1
InChIInChI=1S/C20H19O3P/c1-15-8-11-18(12-9-15)24(21,22)23-20-13-10-16(2)14-19(20)17-6-4-3-5-7-17/h3-14H,1-2H3,(H,21,22)
InChIKeyDJNCCVSODKSBBP-UHFFFAOYSA-N
MW338.34 g/mol
LogP4.86
Rot. Bonds4

About (4-methylphenyl)-(4-methyl-2-phenylphenoxy)phosphinic acid

(4-methylphenyl)-(4-methyl-2-phenylphenoxy)phosphinic acid (PubChem CID 87624270) has the molecular formula C20H19O3P and a molecular weight of 338.34 g/mol. Its IUPAC name is (4-methylphenyl)-(4-methyl-2-phenylphenoxy)phosphinic acid.

Molecular Properties

Compound Name(4-methylphenyl)-(4-methyl-2-phenylphenoxy)phosphinic acid
PubChem CID87624270
Molecular FormulaC20H19O3P
Molecular Weight338.34 g/mol
Exact Mass338.11
IUPAC Name(4-methylphenyl)-(4-methyl-2-phenylphenoxy)phosphinic acid
SMILESCc1ccc(P(=O)(O)Oc2ccc(C)cc2-c2ccccc2)cc1
InChIInChI=1S/C20H19O3P/c1-15-8-11-18(12-9-15)24(21,22)23-20-13-10-16(2)14-19(20)17-6-4-3-5-7-17/h3-14H,1-2H3,(H,21,22)
InChIKeyDJNCCVSODKSBBP-UHFFFAOYSA-N
XLogP4.86
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-methyl-2-phenylphenyl) hydrogen carbonate
CID 22141660
[2-(3-hydroxyphenyl)-4-methylphenyl] dihydrogen phosphate
CID 67822669
1-methyl-4-(2-phenylphenyl)benzene;phosphoric acid
CID 67896941
(4-methyl-2-phenylphenyl) hydrogen sulfate
CID 68929282
(4-methyl-2-phenylphenyl) carbamate
CID 68986573
tris[4-methyl-2-(2-phenylphenyl)phenoxy] phosphate
CID 139822756
[2-[2-(dimethylamino)ethyl]-4-methylphenoxy]-(4-methylphenyl)phosphinic acid
CID 71401644
phenoxy-[4-(2,3,4-trimethylphenyl)phenyl]phosphinic acid
CID 141076733
[3-(4-methylphenyl)-4-phenyl-2-(1-phenylethyl)phenyl] dihydrogen phosphate
CID 139777341
biphenylene;bis(bis(2,4-dimethylphenyl) hydrogen phosphate)
CID 23499722
(2-phenylphenyl) dihydrogen phosphate
CID 19371408
2-[3-(4-methyl-2-phenylphenoxy)propylamino]ethanol
CID 70495492

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-(4-methyl-2-phenylphenoxy)phosphinic acid?
The IUPAC name of (4-methylphenyl)-(4-methyl-2-phenylphenoxy)phosphinic acid (CID 87624270) is (4-methylphenyl)-(4-methyl-2-phenylphenoxy)phosphinic acid.
What is the SMILES notation for (4-methylphenyl)-(4-methyl-2-phenylphenoxy)phosphinic acid?
The canonical SMILES for (4-methylphenyl)-(4-methyl-2-phenylphenoxy)phosphinic acid is Cc1ccc(P(=O)(O)Oc2ccc(C)cc2-c2ccccc2)cc1.
What is the InChIKey of (4-methylphenyl)-(4-methyl-2-phenylphenoxy)phosphinic acid?
The InChIKey is DJNCCVSODKSBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19O3P/c1-15-8-11-18(12-9-15)24(21,22)23-20-13-10-16(2)14-19(20)17-6-4-3-5-7-17/h3-14H,1-2H3,(H,21,22).
What are the key properties of (4-methylphenyl)-(4-methyl-2-phenylphenoxy)phosphinic acid?
(4-methylphenyl)-(4-methyl-2-phenylphenoxy)phosphinic acid has a molecular weight of 338.34 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-(4-methyl-2-phenylphenoxy)phosphinic acid is sourced from PubChem (CID 87624270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).