[5-(oxiran-2-ylmethoxy)-1-benzofuran-2-yl]methanol

C12H12O4 — CID 123472629

IUPAC[5-(oxiran-2-ylmethoxy)-1-benzofuran-2-yl]methanol
SMILESOCc1cc2cc(OCC3CO3)ccc2o1
InChIInChI=1S/C12H12O4/c13-5-10-4-8-3-9(1-2-12(8)16-10)14-6-11-7-15-11/h1-4,11,13H,5-7H2
InChIKeyZZAYJADKMDZHOS-UHFFFAOYSA-N
MW220.22 g/mol
LogP1.70
Rot. Bonds4

About [5-(oxiran-2-ylmethoxy)-1-benzofuran-2-yl]methanol

[5-(oxiran-2-ylmethoxy)-1-benzofuran-2-yl]methanol (PubChem CID 123472629) has the molecular formula C12H12O4 and a molecular weight of 220.22 g/mol. Its IUPAC name is [5-(oxiran-2-ylmethoxy)-1-benzofuran-2-yl]methanol.

Molecular Properties

Compound Name[5-(oxiran-2-ylmethoxy)-1-benzofuran-2-yl]methanol
PubChem CID123472629
Molecular FormulaC12H12O4
Molecular Weight220.22 g/mol
Exact Mass220.07
IUPAC Name[5-(oxiran-2-ylmethoxy)-1-benzofuran-2-yl]methanol
SMILESOCc1cc2cc(OCC3CO3)ccc2o1
InChIInChI=1S/C12H12O4/c13-5-10-4-8-3-9(1-2-12(8)16-10)14-6-11-7-15-11/h1-4,11,13H,5-7H2
InChIKeyZZAYJADKMDZHOS-UHFFFAOYSA-N
XLogP1.70
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

naphthalene-2,6-diol;2-[[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxymethyl]oxirane
CID 167603505
(2S)-2-(naphthalen-2-yloxymethyl)oxirane
CID 726163
(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
2-amino-5-(oxiran-2-ylmethoxy)phenol
CID 142227282
2-ethyl-5-(oxiran-2-ylmethoxy)-1,3-benzoxazole
CID 45095365
2-[4,6-bis[2-hydroxy-4-(oxiran-2-ylmethoxy)phenyl]-1,3,5-triazin-2-yl]-5-(oxiran-2-ylmethoxy)phenol
CID 147213170
2,6-bis(oxiran-2-ylmethoxy)xanthen-9-one
CID 10065831
2-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxypyrimidine
CID 142978717
(2R)-2-[[5-[[(2R)-oxiran-2-yl]methoxy]naphthalen-2-yl]oxymethyl]oxirane
CID 681871
methane;4-(oxiran-2-ylmethoxy)phenol
CID 159818409
methyl 6-(oxiran-2-ylmethoxy)-1-benzofuran-2-carboxylate
CID 146098589
4-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethyl)aniline
CID 87864519

Frequently Asked Questions

What is the IUPAC name of [5-(oxiran-2-ylmethoxy)-1-benzofuran-2-yl]methanol?
The IUPAC name of [5-(oxiran-2-ylmethoxy)-1-benzofuran-2-yl]methanol (CID 123472629) is [5-(oxiran-2-ylmethoxy)-1-benzofuran-2-yl]methanol.
What is the SMILES notation for [5-(oxiran-2-ylmethoxy)-1-benzofuran-2-yl]methanol?
The canonical SMILES for [5-(oxiran-2-ylmethoxy)-1-benzofuran-2-yl]methanol is OCc1cc2cc(OCC3CO3)ccc2o1.
What is the InChIKey of [5-(oxiran-2-ylmethoxy)-1-benzofuran-2-yl]methanol?
The InChIKey is ZZAYJADKMDZHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O4/c13-5-10-4-8-3-9(1-2-12(8)16-10)14-6-11-7-15-11/h1-4,11,13H,5-7H2.
What are the key properties of [5-(oxiran-2-ylmethoxy)-1-benzofuran-2-yl]methanol?
[5-(oxiran-2-ylmethoxy)-1-benzofuran-2-yl]methanol has a molecular weight of 220.22 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(oxiran-2-ylmethoxy)-1-benzofuran-2-yl]methanol is sourced from PubChem (CID 123472629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).