[2-oxo-2-(1-phenylcyclopentyl)ethyl]phosphonic acid

C13H17O4P — CID 69250269

IUPAC[2-oxo-2-(1-phenylcyclopentyl)ethyl]phosphonic acid
SMILESO=C(CP(=O)(O)O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C13H17O4P/c14-12(10-18(15,16)17)13(8-4-5-9-13)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H2,15,16,17)
InChIKeyMGLOEKPOXFOSDN-UHFFFAOYSA-N
MW268.25 g/mol
LogP2.25
Rot. Bonds4

About [2-oxo-2-(1-phenylcyclopentyl)ethyl]phosphonic acid

[2-oxo-2-(1-phenylcyclopentyl)ethyl]phosphonic acid (PubChem CID 69250269) has the molecular formula C13H17O4P and a molecular weight of 268.25 g/mol. Its IUPAC name is [2-oxo-2-(1-phenylcyclopentyl)ethyl]phosphonic acid.

Molecular Properties

Compound Name[2-oxo-2-(1-phenylcyclopentyl)ethyl]phosphonic acid
PubChem CID69250269
Molecular FormulaC13H17O4P
Molecular Weight268.25 g/mol
Exact Mass268.09
IUPAC Name[2-oxo-2-(1-phenylcyclopentyl)ethyl]phosphonic acid
SMILESO=C(CP(=O)(O)O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C13H17O4P/c14-12(10-18(15,16)17)13(8-4-5-9-13)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H2,15,16,17)
InChIKeyMGLOEKPOXFOSDN-UHFFFAOYSA-N
XLogP2.25
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.25
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1-phenylcyclopentyl)propan-1-one
CID 63080096
2-methoxy-1-(1-phenylcyclohexyl)ethanone
CID 79567283
2-ethoxy-1-(1-phenylcyclopentyl)ethanone
CID 79567147
4-methyl-1-(1-phenylcyclopentyl)pent-4-en-1-one
CID 114473546
3-methyl-1-(1-phenylcyclopentyl)pentan-1-one
CID 55179619
1-phenylcyclopentane-1-carboxamide;dihydrochloride
CID 142770378
2-(5-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanone
CID 63410287
2-(furan-2-yl)-1-(1-phenylcyclobutyl)ethanone
CID 83171953
3-methyl-1-(1-phenylcyclopentyl)hexan-1-one
CID 63410458
2-(furan-3-yl)-1-(1-phenylcyclobutyl)ethanone
CID 83171826
2-(diethylamino)-1-(1-phenylcyclobutyl)ethanone
CID 130330381
1-(1-phenylcyclobutyl)pent-3-yn-1-one
CID 63078433

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(1-phenylcyclopentyl)ethyl]phosphonic acid?
The IUPAC name of [2-oxo-2-(1-phenylcyclopentyl)ethyl]phosphonic acid (CID 69250269) is [2-oxo-2-(1-phenylcyclopentyl)ethyl]phosphonic acid.
What is the SMILES notation for [2-oxo-2-(1-phenylcyclopentyl)ethyl]phosphonic acid?
The canonical SMILES for [2-oxo-2-(1-phenylcyclopentyl)ethyl]phosphonic acid is O=C(CP(=O)(O)O)C1(c2ccccc2)CCCC1.
What is the InChIKey of [2-oxo-2-(1-phenylcyclopentyl)ethyl]phosphonic acid?
The InChIKey is MGLOEKPOXFOSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17O4P/c14-12(10-18(15,16)17)13(8-4-5-9-13)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H2,15,16,17).
What are the key properties of [2-oxo-2-(1-phenylcyclopentyl)ethyl]phosphonic acid?
[2-oxo-2-(1-phenylcyclopentyl)ethyl]phosphonic acid has a molecular weight of 268.25 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(1-phenylcyclopentyl)ethyl]phosphonic acid is sourced from PubChem (CID 69250269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).