furan-2-yl 2-hydroxy-2-(phenoxymethoxy)acetate

C13H12O6 — CID 58854776

IUPACfuran-2-yl 2-hydroxy-2-(phenoxymethoxy)acetate
SMILESO=C(Oc1ccco1)C(O)OCOc1ccccc1
InChIInChI=1S/C13H12O6/c14-12(13(15)19-11-7-4-8-16-11)18-9-17-10-5-2-1-3-6-10/h1-8,12,14H,9H2
InChIKeyPIBZUWVCXQXXIN-UHFFFAOYSA-N
MW264.23 g/mol
LogP1.56
Rot. Bonds6

About furan-2-yl 2-hydroxy-2-(phenoxymethoxy)acetate

furan-2-yl 2-hydroxy-2-(phenoxymethoxy)acetate (PubChem CID 58854776) has the molecular formula C13H12O6 and a molecular weight of 264.23 g/mol. Its IUPAC name is furan-2-yl 2-hydroxy-2-(phenoxymethoxy)acetate.

Molecular Properties

Compound Namefuran-2-yl 2-hydroxy-2-(phenoxymethoxy)acetate
PubChem CID58854776
Molecular FormulaC13H12O6
Molecular Weight264.23 g/mol
Exact Mass264.06
IUPAC Namefuran-2-yl 2-hydroxy-2-(phenoxymethoxy)acetate
SMILESO=C(Oc1ccco1)C(O)OCOc1ccccc1
InChIInChI=1S/C13H12O6/c14-12(13(15)19-11-7-4-8-16-11)18-9-17-10-5-2-1-3-6-10/h1-8,12,14H,9H2
InChIKeyPIBZUWVCXQXXIN-UHFFFAOYSA-N
XLogP1.56
TPSA78.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

calcium;furan-2-yl hydrogen carbonate;hydride;hydrate
CID 173498538
furan-2-yl 2,4-dimethylpentanoate
CID 11998473
furan-2-yl 2-phenylbut-3-ynoate
CID 102070869
furan-2-yl 3-amino-3-oxopropanoate
CID 141082647
furan-2-yl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate
CID 90119639
furan-2-yl triphenylgermylformate
CID 11101761
potassium furan-2-yl carbonate
CID 174835445
1-(furan-2-yl)-2-phenoxyethanamine
CID 16790358
N-(2-phenoxyethoxy)furan-2-carboxamide
CID 110294654
2-hydroxy-3-phenoxypropanoic acid
CID 67592895
N-[1-(furan-2-yl)propan-2-yl]-2-phenoxyacetamide
CID 47148392
ethane;methane;phenoxymethyl 2-methylprop-2-enoate
CID 161278326

Frequently Asked Questions

What is the IUPAC name of furan-2-yl 2-hydroxy-2-(phenoxymethoxy)acetate?
The IUPAC name of furan-2-yl 2-hydroxy-2-(phenoxymethoxy)acetate (CID 58854776) is furan-2-yl 2-hydroxy-2-(phenoxymethoxy)acetate.
What is the SMILES notation for furan-2-yl 2-hydroxy-2-(phenoxymethoxy)acetate?
The canonical SMILES for furan-2-yl 2-hydroxy-2-(phenoxymethoxy)acetate is O=C(Oc1ccco1)C(O)OCOc1ccccc1.
What is the InChIKey of furan-2-yl 2-hydroxy-2-(phenoxymethoxy)acetate?
The InChIKey is PIBZUWVCXQXXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O6/c14-12(13(15)19-11-7-4-8-16-11)18-9-17-10-5-2-1-3-6-10/h1-8,12,14H,9H2.
What are the key properties of furan-2-yl 2-hydroxy-2-(phenoxymethoxy)acetate?
furan-2-yl 2-hydroxy-2-(phenoxymethoxy)acetate has a molecular weight of 264.23 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl 2-hydroxy-2-(phenoxymethoxy)acetate is sourced from PubChem (CID 58854776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).