2-[2-(hydroxymethyl)-1-benzofuran-3-yl]ethanol

C11H12O3 — CID 10012792

IUPAC2-[2-(hydroxymethyl)-1-benzofuran-3-yl]ethanol
SMILESOCCc1c(CO)oc2ccccc12
InChIInChI=1S/C11H12O3/c12-6-5-9-8-3-1-2-4-10(8)14-11(9)7-13/h1-4,12-13H,5-7H2
InChIKeyCHGBSACTMZSPDG-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.46
Rot. Bonds3

About 2-[2-(hydroxymethyl)-1-benzofuran-3-yl]ethanol

2-[2-(hydroxymethyl)-1-benzofuran-3-yl]ethanol (PubChem CID 10012792) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-1-benzofuran-3-yl]ethanol.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-1-benzofuran-3-yl]ethanol
PubChem CID10012792
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name2-[2-(hydroxymethyl)-1-benzofuran-3-yl]ethanol
SMILESOCCc1c(CO)oc2ccccc12
InChIInChI=1S/C11H12O3/c12-6-5-9-8-3-1-2-4-10(8)14-11(9)7-13/h1-4,12-13H,5-7H2
InChIKeyCHGBSACTMZSPDG-UHFFFAOYSA-N
XLogP1.46
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-dibenzofuran-2-ylethanol
CID 567048
2-ethyl-3-pentyl-1-benzofuran
CID 70503240
dibenzofuran;ethanol
CID 174821059
2-[3-(hydroxymethyl)-1-benzofuran-2-yl]phenol
CID 11413769
4-[2-(2-butyl-1-benzofuran-3-yl)ethyl]phenol
CID 23445648
3-[(2-ethyl-1-benzofuran-3-yl)methylamino]butan-1-ol
CID 78997742
[2-[(E)-2-phenylethenyl]-1-benzofuran-3-yl]methanol
CID 11265190
3-(methoxymethyl)-2-propyl-1-benzofuran
CID 101375007
(2-butyl-1-benzofuran-3-yl)methanamine
CID 43492779
(2R)-2-[(2-ethyl-1-benzofuran-3-yl)methylamino]propan-1-ol
CID 114986912
3-[(2-ethyl-1-benzofuran-3-yl)methylamino]-4,4-dimethylpentan-1-ol
CID 106349047
2-(hydroxymethyl)chromen-4-one
CID 12536095

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)-1-benzofuran-3-yl]ethanol?
The IUPAC name of 2-[2-(hydroxymethyl)-1-benzofuran-3-yl]ethanol (CID 10012792) is 2-[2-(hydroxymethyl)-1-benzofuran-3-yl]ethanol.
What is the SMILES notation for 2-[2-(hydroxymethyl)-1-benzofuran-3-yl]ethanol?
The canonical SMILES for 2-[2-(hydroxymethyl)-1-benzofuran-3-yl]ethanol is OCCc1c(CO)oc2ccccc12.
What is the InChIKey of 2-[2-(hydroxymethyl)-1-benzofuran-3-yl]ethanol?
The InChIKey is CHGBSACTMZSPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c12-6-5-9-8-3-1-2-4-10(8)14-11(9)7-13/h1-4,12-13H,5-7H2.
What are the key properties of 2-[2-(hydroxymethyl)-1-benzofuran-3-yl]ethanol?
2-[2-(hydroxymethyl)-1-benzofuran-3-yl]ethanol has a molecular weight of 192.21 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)-1-benzofuran-3-yl]ethanol is sourced from PubChem (CID 10012792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).