[4-hydroxy-5-(hydroxymethyl)-1-oxo-1-phenyl-1λ5-phospholan-3-yl] acetate

C13H17O5P — CID 102145354

IUPAC[4-hydroxy-5-(hydroxymethyl)-1-oxo-1-phenyl-1λ5-phospholan-3-yl] acetate
SMILESCC(=O)OC1CP(=O)(c2ccccc2)C(CO)C1O
InChIInChI=1S/C13H17O5P/c1-9(15)18-11-8-19(17,12(7-14)13(11)16)10-5-3-2-4-6-10/h2-6,11-14,16H,7-8H2,1H3
InChIKeyJGLJMDYJAYZBQK-UHFFFAOYSA-N
MW284.25 g/mol
LogP0.34
Rot. Bonds3

About [4-hydroxy-5-(hydroxymethyl)-1-oxo-1-phenyl-1λ5-phospholan-3-yl] acetate

[4-hydroxy-5-(hydroxymethyl)-1-oxo-1-phenyl-1λ5-phospholan-3-yl] acetate (PubChem CID 102145354) has the molecular formula C13H17O5P and a molecular weight of 284.25 g/mol. Its IUPAC name is [4-hydroxy-5-(hydroxymethyl)-1-oxo-1-phenyl-1λ5-phospholan-3-yl] acetate.

Molecular Properties

Compound Name[4-hydroxy-5-(hydroxymethyl)-1-oxo-1-phenyl-1λ5-phospholan-3-yl] acetate
PubChem CID102145354
Molecular FormulaC13H17O5P
Molecular Weight284.25 g/mol
Exact Mass284.08
IUPAC Name[4-hydroxy-5-(hydroxymethyl)-1-oxo-1-phenyl-1λ5-phospholan-3-yl] acetate
SMILESCC(=O)OC1CP(=O)(c2ccccc2)C(CO)C1O
InChIInChI=1S/C13H17O5P/c1-9(15)18-11-8-19(17,12(7-14)13(11)16)10-5-3-2-4-6-10/h2-6,11-14,16H,7-8H2,1H3
InChIKeyJGLJMDYJAYZBQK-UHFFFAOYSA-N
XLogP0.34
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.25
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(1R,2R,4S,5R)-2,5-dimethyl-1-phenyl-1-sulfanylidene-1λ5-phosphinan-4-yl] acetate
CID 23266607
[(1R,2R,4R,5R)-2,5-dimethyl-1-phenyl-1-selanylidene-1λ5-phosphinan-4-yl] acetate
CID 25240773
(1-benzyl-4-hydroxypyrrolidin-3-yl) acetate
CID 139629969
[(1R,2R,3R)-2-[(2S,3R,4R)-4-acetyloxy-2-(dibenzylamino)-3-hydroxycyclopentyl]oxy-3-(dibenzylamino)cyclopentyl] acetate
CID 138701529
[(2S,3S,5R,6S)-2,6-dihydroxy-3,4,5-tris(phenylmethoxy)cyclohexyl] acetate
CID 100921481
[(2R,3S,5R,6S)-2,6-dihydroxy-3,4,5-tris(phenylmethoxy)cyclohexyl] acetate
CID 100921480
[(1S,2R,3R,4S,5R,6S)-3-hydroxy-2,4,5,6-tetrakis(phenylmethoxy)cyclohexyl] acetate
CID 10674783
[(1R,2S,3R)-2-(hydroxymethyl)-3-(phenylmethoxymethyl)cyclobutyl] acetate
CID 102074208
[(1R,2R,3R,4R)-2,3-dihydroxy-4-(trityloxymethyl)cyclopentyl] acetate
CID 10025805
[(1S,2S)-2-(N-methylanilino)cyclohexyl] acetate
CID 100993508
[(1S,2S,3R,4S,5R,6S)-2,3,5-trihydroxy-4,6-bis(phenylmethoxy)cyclohexyl] acetate
CID 101210421
[(1R,2R,3R,6R)-2-hydroxy-3,6-diphenylcyclohexyl] acetate
CID 38361315

Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-5-(hydroxymethyl)-1-oxo-1-phenyl-1λ5-phospholan-3-yl] acetate?
The IUPAC name of [4-hydroxy-5-(hydroxymethyl)-1-oxo-1-phenyl-1λ5-phospholan-3-yl] acetate (CID 102145354) is [4-hydroxy-5-(hydroxymethyl)-1-oxo-1-phenyl-1λ5-phospholan-3-yl] acetate.
What is the SMILES notation for [4-hydroxy-5-(hydroxymethyl)-1-oxo-1-phenyl-1λ5-phospholan-3-yl] acetate?
The canonical SMILES for [4-hydroxy-5-(hydroxymethyl)-1-oxo-1-phenyl-1λ5-phospholan-3-yl] acetate is CC(=O)OC1CP(=O)(c2ccccc2)C(CO)C1O.
What is the InChIKey of [4-hydroxy-5-(hydroxymethyl)-1-oxo-1-phenyl-1λ5-phospholan-3-yl] acetate?
The InChIKey is JGLJMDYJAYZBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17O5P/c1-9(15)18-11-8-19(17,12(7-14)13(11)16)10-5-3-2-4-6-10/h2-6,11-14,16H,7-8H2,1H3.
What are the key properties of [4-hydroxy-5-(hydroxymethyl)-1-oxo-1-phenyl-1λ5-phospholan-3-yl] acetate?
[4-hydroxy-5-(hydroxymethyl)-1-oxo-1-phenyl-1λ5-phospholan-3-yl] acetate has a molecular weight of 284.25 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-5-(hydroxymethyl)-1-oxo-1-phenyl-1λ5-phospholan-3-yl] acetate is sourced from PubChem (CID 102145354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).