2-[methoxy(methyl)phosphoryl]oxy-1-[1-(4-methylphenyl)cyclopentyl]ethanone

C16H23O4P — CID 91469396

IUPAC2-[methoxy(methyl)phosphoryl]oxy-1-[1-(4-methylphenyl)cyclopentyl]ethanone
SMILESCOP(C)(=O)OCC(=O)C1(c2ccc(C)cc2)CCCC1
InChIInChI=1S/C16H23O4P/c1-13-6-8-14(9-7-13)16(10-4-5-11-16)15(17)12-20-21(3,18)19-2/h6-9H,4-5,10-12H2,1-3H3
InChIKeyGRXVRBGPDVSEIW-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.86
Rot. Bonds6

About 2-[methoxy(methyl)phosphoryl]oxy-1-[1-(4-methylphenyl)cyclopentyl]ethanone

2-[methoxy(methyl)phosphoryl]oxy-1-[1-(4-methylphenyl)cyclopentyl]ethanone (PubChem CID 91469396) has the molecular formula C16H23O4P and a molecular weight of 310.33 g/mol. Its IUPAC name is 2-[methoxy(methyl)phosphoryl]oxy-1-[1-(4-methylphenyl)cyclopentyl]ethanone.

Molecular Properties

Compound Name2-[methoxy(methyl)phosphoryl]oxy-1-[1-(4-methylphenyl)cyclopentyl]ethanone
PubChem CID91469396
Molecular FormulaC16H23O4P
Molecular Weight310.33 g/mol
Exact Mass310.13
IUPAC Name2-[methoxy(methyl)phosphoryl]oxy-1-[1-(4-methylphenyl)cyclopentyl]ethanone
SMILESCOP(C)(=O)OCC(=O)C1(c2ccc(C)cc2)CCCC1
InChIInChI=1S/C16H23O4P/c1-13-6-8-14(9-7-13)16(10-4-5-11-16)15(17)12-20-21(3,18)19-2/h6-9H,4-5,10-12H2,1-3H3
InChIKeyGRXVRBGPDVSEIW-UHFFFAOYSA-N
XLogP3.86
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 1-(4-methylphenyl)cyclopentane-1-carboxylate
CID 59175396
2-(methylamino)-1-[1-(4-methylphenyl)cyclopentyl]ethanone
CID 59019872
ethyl 1-(4-methylphenyl)cyclopentane-1-carboxylate
CID 15029975
2-methoxy-1-(1-phenylcyclohexyl)ethanone
CID 79567283
2-ethoxy-1-(1-phenylcyclopentyl)ethanone
CID 79567147
3-(methylamino)-1-[1-(4-methylphenyl)cyclobutyl]propan-1-one
CID 142832825
1-[1-(4-methylphenyl)cyclobutyl]-2-pyrrolidin-1-ylethanone
CID 59019691
1-(4-methylphenyl)cyclobutane-1-carboxylic acid
CID 23295038
1-[1-(4-methylphenyl)cyclobutyl]propane-1,2-dione
CID 122222517
2-[ethyl(2-methoxyethyl)amino]-1-[1-(4-methylphenyl)cyclopropyl]ethanone
CID 142833172
ethyl 1-(4-methylphenyl)cyclopropane-1-carboxylate
CID 105456293
N-(4-methoxy-3,5-dimethylphenyl)-1-(4-methylphenyl)cyclopentane-1-carboxamide
CID 100662222

Frequently Asked Questions

What is the IUPAC name of 2-[methoxy(methyl)phosphoryl]oxy-1-[1-(4-methylphenyl)cyclopentyl]ethanone?
The IUPAC name of 2-[methoxy(methyl)phosphoryl]oxy-1-[1-(4-methylphenyl)cyclopentyl]ethanone (CID 91469396) is 2-[methoxy(methyl)phosphoryl]oxy-1-[1-(4-methylphenyl)cyclopentyl]ethanone.
What is the SMILES notation for 2-[methoxy(methyl)phosphoryl]oxy-1-[1-(4-methylphenyl)cyclopentyl]ethanone?
The canonical SMILES for 2-[methoxy(methyl)phosphoryl]oxy-1-[1-(4-methylphenyl)cyclopentyl]ethanone is COP(C)(=O)OCC(=O)C1(c2ccc(C)cc2)CCCC1.
What is the InChIKey of 2-[methoxy(methyl)phosphoryl]oxy-1-[1-(4-methylphenyl)cyclopentyl]ethanone?
The InChIKey is GRXVRBGPDVSEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23O4P/c1-13-6-8-14(9-7-13)16(10-4-5-11-16)15(17)12-20-21(3,18)19-2/h6-9H,4-5,10-12H2,1-3H3.
What are the key properties of 2-[methoxy(methyl)phosphoryl]oxy-1-[1-(4-methylphenyl)cyclopentyl]ethanone?
2-[methoxy(methyl)phosphoryl]oxy-1-[1-(4-methylphenyl)cyclopentyl]ethanone has a molecular weight of 310.33 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methoxy(methyl)phosphoryl]oxy-1-[1-(4-methylphenyl)cyclopentyl]ethanone is sourced from PubChem (CID 91469396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).