(2-ethylphenoxy)-(4-methylbenzoyl)phosphinic acid

C16H17O4P — CID 87156121

IUPAC(2-ethylphenoxy)-(4-methylbenzoyl)phosphinic acid
SMILESCCc1ccccc1OP(=O)(O)C(=O)c1ccc(C)cc1
InChIInChI=1S/C16H17O4P/c1-3-13-6-4-5-7-15(13)20-21(18,19)16(17)14-10-8-12(2)9-11-14/h4-11H,3H2,1-2H3,(H,18,19)
InChIKeyBZTSVEBLUOTNNT-UHFFFAOYSA-N
MW304.28 g/mol
LogP3.96
Rot. Bonds5

About (2-ethylphenoxy)-(4-methylbenzoyl)phosphinic acid

(2-ethylphenoxy)-(4-methylbenzoyl)phosphinic acid (PubChem CID 87156121) has the molecular formula C16H17O4P and a molecular weight of 304.28 g/mol. Its IUPAC name is (2-ethylphenoxy)-(4-methylbenzoyl)phosphinic acid.

Molecular Properties

Compound Name(2-ethylphenoxy)-(4-methylbenzoyl)phosphinic acid
PubChem CID87156121
Molecular FormulaC16H17O4P
Molecular Weight304.28 g/mol
Exact Mass304.09
IUPAC Name(2-ethylphenoxy)-(4-methylbenzoyl)phosphinic acid
SMILESCCc1ccccc1OP(=O)(O)C(=O)c1ccc(C)cc1
InChIInChI=1S/C16H17O4P/c1-3-13-6-4-5-7-15(13)20-21(18,19)16(17)14-10-8-12(2)9-11-14/h4-11H,3H2,1-2H3,(H,18,19)
InChIKeyBZTSVEBLUOTNNT-UHFFFAOYSA-N
XLogP3.96
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-cyclohexylphenoxy)-(4-methylbenzoyl)phosphinic acid
CID 87155059
1-ethyl-2-[ethyl-(2-ethylphenoxy)phosphoryl]oxybenzene
CID 87155659
[(2-ethylphenoxy)-hydroxyphosphoryl] prop-2-eneperoxoate
CID 23077154
bis(4-ethylphenoxy)phosphoryl-(4-methylphenyl)methanone
CID 87156122
bis(4-methylphenyl)phosphoryl-(4-methylphenyl)methanone
CID 154663446
(3,4-dimethylbenzoyl)oxy-(4-methylbenzoyl)phosphinic acid
CID 87155992
N-[2-(2-methoxyphenyl)ethyl]-4-methylbenzamide
CID 8911194
2-(2-ethylphenoxy)-N-(4-methylphenyl)propanamide
CID 53284965
N'-[2-(2-ethoxyphenoxy)acetyl]-4-methylbenzohydrazide
CID 7918380
(2-ethylphenyl) N-propylcarbamate
CID 127559161
diphenylmethanone;(2-ethylbenzoyl)phosphonic acid
CID 175203276
N-ethyl-N-[(2-methoxyphenyl)methyl]-4-methylbenzamide
CID 123310577

Frequently Asked Questions

What is the IUPAC name of (2-ethylphenoxy)-(4-methylbenzoyl)phosphinic acid?
The IUPAC name of (2-ethylphenoxy)-(4-methylbenzoyl)phosphinic acid (CID 87156121) is (2-ethylphenoxy)-(4-methylbenzoyl)phosphinic acid.
What is the SMILES notation for (2-ethylphenoxy)-(4-methylbenzoyl)phosphinic acid?
The canonical SMILES for (2-ethylphenoxy)-(4-methylbenzoyl)phosphinic acid is CCc1ccccc1OP(=O)(O)C(=O)c1ccc(C)cc1.
What is the InChIKey of (2-ethylphenoxy)-(4-methylbenzoyl)phosphinic acid?
The InChIKey is BZTSVEBLUOTNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17O4P/c1-3-13-6-4-5-7-15(13)20-21(18,19)16(17)14-10-8-12(2)9-11-14/h4-11H,3H2,1-2H3,(H,18,19).
What are the key properties of (2-ethylphenoxy)-(4-methylbenzoyl)phosphinic acid?
(2-ethylphenoxy)-(4-methylbenzoyl)phosphinic acid has a molecular weight of 304.28 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylphenoxy)-(4-methylbenzoyl)phosphinic acid is sourced from PubChem (CID 87156121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).