2-[5-(1-hydroxyethyl)-1-benzofuran-2-yl]propan-2-ol

C13H16O3 — CID 101417419

IUPAC2-[5-(1-hydroxyethyl)-1-benzofuran-2-yl]propan-2-ol
SMILESCC(O)c1ccc2oc(C(C)(C)O)cc2c1
InChIInChI=1S/C13H16O3/c1-8(14)9-4-5-11-10(6-9)7-12(16-11)13(2,3)15/h4-8,14-15H,1-3H3
InChIKeyAITBGMUAMIDJRC-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.71
Rot. Bonds2

About 2-[5-(1-hydroxyethyl)-1-benzofuran-2-yl]propan-2-ol

2-[5-(1-hydroxyethyl)-1-benzofuran-2-yl]propan-2-ol (PubChem CID 101417419) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-[5-(1-hydroxyethyl)-1-benzofuran-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[5-(1-hydroxyethyl)-1-benzofuran-2-yl]propan-2-ol
PubChem CID101417419
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name2-[5-(1-hydroxyethyl)-1-benzofuran-2-yl]propan-2-ol
SMILESCC(O)c1ccc2oc(C(C)(C)O)cc2c1
InChIInChI=1S/C13H16O3/c1-8(14)9-4-5-11-10(6-9)7-12(16-11)13(2,3)15/h4-8,14-15H,1-3H3
InChIKeyAITBGMUAMIDJRC-UHFFFAOYSA-N
XLogP2.71
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[3,4-di(propan-2-yl)phenyl]ethanol
CID 125467174
2-(6-methyl-1-benzofuran-2-yl)propan-2-ol
CID 117122380
4-(5-fluoro-1-benzofuran-2-yl)-4-methylpentan-2-ol
CID 114733754
4-(5-chloro-1-benzofuran-2-yl)-4-methylpentan-2-ol
CID 114733752
2-(5-methyl-1-benzofuran-2-yl)-4-(propan-2-ylamino)butan-2-ol
CID 114735149
2,5-di(propan-2-yl)-1-benzofuran
CID 59835786
5-tert-butyl-2-(trifluoromethyl)-1-benzofuran
CID 171548664
1-(5-bromo-1-benzofuran-2-yl)ethanol
CID 11276522
(1S)-1-dibenzofuran-2-ylethanol
CID 82758937
2-(1,1-difluoroethyl)-1-benzofuran-5-ol
CID 84668029
2-tert-butyl-1-benzofuran-5-amine
CID 123538577
4-(1-hydroxyethyl)-2-propan-2-ylphenol
CID 82265836

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-hydroxyethyl)-1-benzofuran-2-yl]propan-2-ol?
The IUPAC name of 2-[5-(1-hydroxyethyl)-1-benzofuran-2-yl]propan-2-ol (CID 101417419) is 2-[5-(1-hydroxyethyl)-1-benzofuran-2-yl]propan-2-ol.
What is the SMILES notation for 2-[5-(1-hydroxyethyl)-1-benzofuran-2-yl]propan-2-ol?
The canonical SMILES for 2-[5-(1-hydroxyethyl)-1-benzofuran-2-yl]propan-2-ol is CC(O)c1ccc2oc(C(C)(C)O)cc2c1.
What is the InChIKey of 2-[5-(1-hydroxyethyl)-1-benzofuran-2-yl]propan-2-ol?
The InChIKey is AITBGMUAMIDJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-8(14)9-4-5-11-10(6-9)7-12(16-11)13(2,3)15/h4-8,14-15H,1-3H3.
What are the key properties of 2-[5-(1-hydroxyethyl)-1-benzofuran-2-yl]propan-2-ol?
2-[5-(1-hydroxyethyl)-1-benzofuran-2-yl]propan-2-ol has a molecular weight of 220.27 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-hydroxyethyl)-1-benzofuran-2-yl]propan-2-ol is sourced from PubChem (CID 101417419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).