4-hydroxy-2-(phenylmethoxymethyl)-2,5-dihydrofuran-3-carbonitrile;platinum

C13H13NO3Pt — CID 163382703

IUPAC4-hydroxy-2-(phenylmethoxymethyl)-2,5-dihydrofuran-3-carbonitrile;platinum
SMILESN#CC1=C(O)COC1COCc1ccccc1.[Pt]
InChIInChI=1S/C13H13NO3.Pt/c14-6-11-12(15)8-17-13(11)9-16-7-10-4-2-1-3-5-10;/h1-5,13,15H,7-9H2;
InChIKeyAPMYCIOTVGRNNP-UHFFFAOYSA-N
MW426.33 g/mol
LogP1.94
Rot. Bonds4

About 4-hydroxy-2-(phenylmethoxymethyl)-2,5-dihydrofuran-3-carbonitrile;platinum

4-hydroxy-2-(phenylmethoxymethyl)-2,5-dihydrofuran-3-carbonitrile;platinum (PubChem CID 163382703) has the molecular formula C13H13NO3Pt and a molecular weight of 426.33 g/mol. Its IUPAC name is 4-hydroxy-2-(phenylmethoxymethyl)-2,5-dihydrofuran-3-carbonitrile;platinum.

Molecular Properties

Compound Name4-hydroxy-2-(phenylmethoxymethyl)-2,5-dihydrofuran-3-carbonitrile;platinum
PubChem CID163382703
Molecular FormulaC13H13NO3Pt
Molecular Weight426.33 g/mol
Exact Mass426.05
IUPAC Name4-hydroxy-2-(phenylmethoxymethyl)-2,5-dihydrofuran-3-carbonitrile;platinum
SMILESN#CC1=C(O)COC1COCc1ccccc1.[Pt]
InChIInChI=1S/C13H13NO3.Pt/c14-6-11-12(15)8-17-13(11)9-16-7-10-4-2-1-3-5-10;/h1-5,13,15H,7-9H2;
InChIKeyAPMYCIOTVGRNNP-UHFFFAOYSA-N
XLogP1.94
TPSA62.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.33
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
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(3R)-3-methyl-4-phenylmethoxybutanenitrile
CID 69233531
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1-(oxiran-2-ylmethoxy)-3-phenylmethoxypropan-2-ol
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(1R,4S)-2-chloro-7-(phenylmethoxymethyl)bicyclo[2.2.1]hept-5-ene-2-carbonitrile
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CID 163898082

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(phenylmethoxymethyl)-2,5-dihydrofuran-3-carbonitrile;platinum?
The IUPAC name of 4-hydroxy-2-(phenylmethoxymethyl)-2,5-dihydrofuran-3-carbonitrile;platinum (CID 163382703) is 4-hydroxy-2-(phenylmethoxymethyl)-2,5-dihydrofuran-3-carbonitrile;platinum.
What is the SMILES notation for 4-hydroxy-2-(phenylmethoxymethyl)-2,5-dihydrofuran-3-carbonitrile;platinum?
The canonical SMILES for 4-hydroxy-2-(phenylmethoxymethyl)-2,5-dihydrofuran-3-carbonitrile;platinum is N#CC1=C(O)COC1COCc1ccccc1.[Pt].
What is the InChIKey of 4-hydroxy-2-(phenylmethoxymethyl)-2,5-dihydrofuran-3-carbonitrile;platinum?
The InChIKey is APMYCIOTVGRNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3.Pt/c14-6-11-12(15)8-17-13(11)9-16-7-10-4-2-1-3-5-10;/h1-5,13,15H,7-9H2;.
What are the key properties of 4-hydroxy-2-(phenylmethoxymethyl)-2,5-dihydrofuran-3-carbonitrile;platinum?
4-hydroxy-2-(phenylmethoxymethyl)-2,5-dihydrofuran-3-carbonitrile;platinum has a molecular weight of 426.33 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(phenylmethoxymethyl)-2,5-dihydrofuran-3-carbonitrile;platinum is sourced from PubChem (CID 163382703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).