chloro-[2-(hydroxymethyl)-4-oxo-6-(phenylmethoxymethyl)pyran-3-yl]oxylead

C14H13ClO5Pb — CID 143480829

IUPACchloro-[2-(hydroxymethyl)-4-oxo-6-(phenylmethoxymethyl)pyran-3-yl]oxylead
SMILESO=c1cc(COCc2ccccc2)oc(CO)c1O[Pb]Cl
InChIInChI=1S/C14H14O5.ClH.Pb/c15-7-13-14(17)12(16)6-11(19-13)9-18-8-10-4-2-1-3-5-10;;/h1-6,15,17H,7-9H2;1H;/q;;+2/p-2
InChIKeyFXZVKGBVCQTJRS-UHFFFAOYSA-L
MW503.91 g/mol
LogP2.00
Rot. Bonds7

About chloro-[2-(hydroxymethyl)-4-oxo-6-(phenylmethoxymethyl)pyran-3-yl]oxylead

chloro-[2-(hydroxymethyl)-4-oxo-6-(phenylmethoxymethyl)pyran-3-yl]oxylead (PubChem CID 143480829) has the molecular formula C14H13ClO5Pb and a molecular weight of 503.91 g/mol. Its IUPAC name is chloro-[2-(hydroxymethyl)-4-oxo-6-(phenylmethoxymethyl)pyran-3-yl]oxylead.

Molecular Properties

Compound Namechloro-[2-(hydroxymethyl)-4-oxo-6-(phenylmethoxymethyl)pyran-3-yl]oxylead
PubChem CID143480829
Molecular FormulaC14H13ClO5Pb
Molecular Weight503.91 g/mol
Exact Mass504.02
IUPAC Namechloro-[2-(hydroxymethyl)-4-oxo-6-(phenylmethoxymethyl)pyran-3-yl]oxylead
SMILESO=c1cc(COCc2ccccc2)oc(CO)c1O[Pb]Cl
InChIInChI=1S/C14H14O5.ClH.Pb/c15-7-13-14(17)12(16)6-11(19-13)9-18-8-10-4-2-1-3-5-10;;/h1-6,15,17H,7-9H2;1H;/q;;+2/p-2
InChIKeyFXZVKGBVCQTJRS-UHFFFAOYSA-L
XLogP2.00
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.91
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 18428308
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CID 53341635
CID 66734377
CID 66734377
[4-(phenylmethoxymethyl)naphthalen-1-yl]methanol
CID 146459770
5-hydroxy-4-(phenylmethoxymethyl)-3H-1,3-oxazol-2-one
CID 123835412
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Frequently Asked Questions

What is the IUPAC name of chloro-[2-(hydroxymethyl)-4-oxo-6-(phenylmethoxymethyl)pyran-3-yl]oxylead?
The IUPAC name of chloro-[2-(hydroxymethyl)-4-oxo-6-(phenylmethoxymethyl)pyran-3-yl]oxylead (CID 143480829) is chloro-[2-(hydroxymethyl)-4-oxo-6-(phenylmethoxymethyl)pyran-3-yl]oxylead.
What is the SMILES notation for chloro-[2-(hydroxymethyl)-4-oxo-6-(phenylmethoxymethyl)pyran-3-yl]oxylead?
The canonical SMILES for chloro-[2-(hydroxymethyl)-4-oxo-6-(phenylmethoxymethyl)pyran-3-yl]oxylead is O=c1cc(COCc2ccccc2)oc(CO)c1O[Pb]Cl.
What is the InChIKey of chloro-[2-(hydroxymethyl)-4-oxo-6-(phenylmethoxymethyl)pyran-3-yl]oxylead?
The InChIKey is FXZVKGBVCQTJRS-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H14O5.ClH.Pb/c15-7-13-14(17)12(16)6-11(19-13)9-18-8-10-4-2-1-3-5-10;;/h1-6,15,17H,7-9H2;1H;/q;;+2/p-2.
What are the key properties of chloro-[2-(hydroxymethyl)-4-oxo-6-(phenylmethoxymethyl)pyran-3-yl]oxylead?
chloro-[2-(hydroxymethyl)-4-oxo-6-(phenylmethoxymethyl)pyran-3-yl]oxylead has a molecular weight of 503.91 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[2-(hydroxymethyl)-4-oxo-6-(phenylmethoxymethyl)pyran-3-yl]oxylead is sourced from PubChem (CID 143480829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).