1-(1-benzofuran-2-yl)but-2-en-1-ol

C12H12O2 — CID 150085441

IUPAC1-(1-benzofuran-2-yl)but-2-en-1-ol
SMILESCC=CC(O)c1cc2ccccc2o1
InChIInChI=1S/C12H12O2/c1-2-5-10(13)12-8-9-6-3-4-7-11(9)14-12/h2-8,10,13H,1H3
InChIKeyDSDARNLQKKGYAV-UHFFFAOYSA-N
MW188.23 g/mol
LogP3.04
Rot. Bonds2

About 1-(1-benzofuran-2-yl)but-2-en-1-ol

1-(1-benzofuran-2-yl)but-2-en-1-ol (PubChem CID 150085441) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)but-2-en-1-ol.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)but-2-en-1-ol
PubChem CID150085441
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name1-(1-benzofuran-2-yl)but-2-en-1-ol
SMILESCC=CC(O)c1cc2ccccc2o1
InChIInChI=1S/C12H12O2/c1-2-5-10(13)12-8-9-6-3-4-7-11(9)14-12/h2-8,10,13H,1H3
InChIKeyDSDARNLQKKGYAV-UHFFFAOYSA-N
XLogP3.04
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(1-benzofuran-2-yl)-2-methoxypropan-1-ol
CID 114726943
(1R)-1-(1-benzofuran-2-yl)ethanamine;hydrochloride
CID 75525569
(E)-but-2-ene;ethane;2-methyl-1-benzofuran
CID 143997020
1-(1-benzofuran-2-yl)-3-chloropropane-1,2-diol
CID 171863453
1-benzofuran-2-yl-(7-methyl-1-benzofuran-2-yl)methanol
CID 114723563
1-benzofuran-2-yl-(3,4-difluorophenyl)methanol
CID 63089375
1-(1-benzofuran-2-yl)heptan-1-ol
CID 63089894
2-butan-2-yl-1-benzofuran
CID 12065919
2-amino-2-(1-benzofuran-2-yl)ethanol
CID 54265707
(1R)-1-(1-benzofuran-2-yl)butane-1,4-diol
CID 124681415
1-(1-benzofuran-2-yl)-2,2-difluoro-N-methylethanamine
CID 103759858
1-(1-benzofuran-2-yl)ethanesulfonic acid
CID 87653215

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)but-2-en-1-ol?
The IUPAC name of 1-(1-benzofuran-2-yl)but-2-en-1-ol (CID 150085441) is 1-(1-benzofuran-2-yl)but-2-en-1-ol.
What is the SMILES notation for 1-(1-benzofuran-2-yl)but-2-en-1-ol?
The canonical SMILES for 1-(1-benzofuran-2-yl)but-2-en-1-ol is CC=CC(O)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)but-2-en-1-ol?
The InChIKey is DSDARNLQKKGYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c1-2-5-10(13)12-8-9-6-3-4-7-11(9)14-12/h2-8,10,13H,1H3.
What are the key properties of 1-(1-benzofuran-2-yl)but-2-en-1-ol?
1-(1-benzofuran-2-yl)but-2-en-1-ol has a molecular weight of 188.23 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)but-2-en-1-ol is sourced from PubChem (CID 150085441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).