cyclopentylmethoxy-(2-methylbenzoyl)phosphinic acid

C14H19O4P — CID 87155396

IUPACcyclopentylmethoxy-(2-methylbenzoyl)phosphinic acid
SMILESCc1ccccc1C(=O)P(=O)(O)OCC1CCCC1
InChIInChI=1S/C14H19O4P/c1-11-6-2-5-9-13(11)14(15)19(16,17)18-10-12-7-3-4-8-12/h2,5-6,9,12H,3-4,7-8,10H2,1H3,(H,16,17)
InChIKeyNAIICZFWEYICHU-UHFFFAOYSA-N
MW282.28 g/mol
LogP3.53
Rot. Bonds5

About cyclopentylmethoxy-(2-methylbenzoyl)phosphinic acid

cyclopentylmethoxy-(2-methylbenzoyl)phosphinic acid (PubChem CID 87155396) has the molecular formula C14H19O4P and a molecular weight of 282.28 g/mol. Its IUPAC name is cyclopentylmethoxy-(2-methylbenzoyl)phosphinic acid.

Molecular Properties

Compound Namecyclopentylmethoxy-(2-methylbenzoyl)phosphinic acid
PubChem CID87155396
Molecular FormulaC14H19O4P
Molecular Weight282.28 g/mol
Exact Mass282.10
IUPAC Namecyclopentylmethoxy-(2-methylbenzoyl)phosphinic acid
SMILESCc1ccccc1C(=O)P(=O)(O)OCC1CCCC1
InChIInChI=1S/C14H19O4P/c1-11-6-2-5-9-13(11)14(15)19(16,17)18-10-12-7-3-4-8-12/h2,5-6,9,12H,3-4,7-8,10H2,1H3,(H,16,17)
InChIKeyNAIICZFWEYICHU-UHFFFAOYSA-N
XLogP3.53
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 53.53
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

bis(cyclohex-3-en-1-ylmethoxy)phosphoryl-(2-methylphenyl)methanone
CID 87155053
[4-[(2-methylbenzoyl)oxymethyl]cyclohexyl]methyl 2-methylbenzoate
CID 18407926
2-cyclobutyl-1-(2-methylphenyl)ethanone
CID 65460155
(2,3-dimethylbenzoyl)oxy-(2-methylbenzoyl)phosphinic acid
CID 87155428
2-(cyclopropylmethoxy)-1-(2-methylphenyl)ethanone
CID 43799214
bis(2-methylbenzoyl)phosphoryl-(2-methylphenyl)methanone
CID 18353869
2-methyl-N-[(1S,2S)-2-[(2-methylbenzoyl)amino]cyclohexyl]benzamide
CID 979091
bis(cyclohexylmethyl) benzene-1,2-dicarboxylate;bis(3-ethylpentan-3-yl) benzene-1,2-dicarboxylate;1,2-xylene
CID 91250961
1-(cyclopentylmethoxy)-2-methylbenzene
CID 59117156
cyclooctyl-(2-methylphenyl)methanone
CID 80602643
[10-(2-methylbenzoyl)oxy-9-tricyclo[6.2.1.02,7]undecanyl] 2-methylbenzoate
CID 166987407
disodium;(2-methylphenyl)-phosphonatomethanone
CID 66884074

Frequently Asked Questions

What is the IUPAC name of cyclopentylmethoxy-(2-methylbenzoyl)phosphinic acid?
The IUPAC name of cyclopentylmethoxy-(2-methylbenzoyl)phosphinic acid (CID 87155396) is cyclopentylmethoxy-(2-methylbenzoyl)phosphinic acid.
What is the SMILES notation for cyclopentylmethoxy-(2-methylbenzoyl)phosphinic acid?
The canonical SMILES for cyclopentylmethoxy-(2-methylbenzoyl)phosphinic acid is Cc1ccccc1C(=O)P(=O)(O)OCC1CCCC1.
What is the InChIKey of cyclopentylmethoxy-(2-methylbenzoyl)phosphinic acid?
The InChIKey is NAIICZFWEYICHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19O4P/c1-11-6-2-5-9-13(11)14(15)19(16,17)18-10-12-7-3-4-8-12/h2,5-6,9,12H,3-4,7-8,10H2,1H3,(H,16,17).
What are the key properties of cyclopentylmethoxy-(2-methylbenzoyl)phosphinic acid?
cyclopentylmethoxy-(2-methylbenzoyl)phosphinic acid has a molecular weight of 282.28 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentylmethoxy-(2-methylbenzoyl)phosphinic acid is sourced from PubChem (CID 87155396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).