3-(1-benzofuran-3-yl)prop-2-en-1-ol

C11H10O2 — CID 169453429

IUPAC3-(1-benzofuran-3-yl)prop-2-en-1-ol
SMILESOCC=Cc1coc2ccccc12
InChIInChI=1S/C11H10O2/c12-7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-6,8,12H,7H2
InChIKeyXIKLHPSIMWWHPR-UHFFFAOYSA-N
MW174.20 g/mol
LogP2.44
Rot. Bonds2

About 3-(1-benzofuran-3-yl)prop-2-en-1-ol

3-(1-benzofuran-3-yl)prop-2-en-1-ol (PubChem CID 169453429) has the molecular formula C11H10O2 and a molecular weight of 174.20 g/mol. Its IUPAC name is 3-(1-benzofuran-3-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name3-(1-benzofuran-3-yl)prop-2-en-1-ol
PubChem CID169453429
Molecular FormulaC11H10O2
Molecular Weight174.20 g/mol
Exact Mass174.07
IUPAC Name3-(1-benzofuran-3-yl)prop-2-en-1-ol
SMILESOCC=Cc1coc2ccccc12
InChIInChI=1S/C11H10O2/c12-7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-6,8,12H,7H2
InChIKeyXIKLHPSIMWWHPR-UHFFFAOYSA-N
XLogP2.44
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-benzofuran-3-yl)but-3-enoic acid
CID 170483686
N-[3-(1-benzofuran-3-yl)prop-2-enyl]acetamide
CID 169465577
ethyl 3-(1-benzofuran-3-yl)prop-2-enoate
CID 169480442
3-(2-ethenylphenyl)prop-2-en-1-ol
CID 169452931
(E)-3-[2-(hydroxymethyl)phenyl]prop-2-en-1-ol
CID 14397663
2-(1-benzofuran-3-yl)propan-1-ol
CID 23614436
6-(3-hydroxyprop-1-enyl)-4-oxochromene-3-carbaldehyde
CID 169454156
(E)-3-(1-benzofuran-3-yl)-1-morpholin-4-ylprop-2-en-1-one
CID 11586936
(E)-3-quinolin-4-ylprop-2-en-1-ol
CID 22631016
1-benzofuran-3-ol;methane
CID 175138306
(1-benzofuran-3-ylmethylideneamino)urea
CID 165348441
(E)-N-ethyl-3-(4-oxochromen-3-yl)prop-2-enamide
CID 108794102

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-3-yl)prop-2-en-1-ol?
The IUPAC name of 3-(1-benzofuran-3-yl)prop-2-en-1-ol (CID 169453429) is 3-(1-benzofuran-3-yl)prop-2-en-1-ol.
What is the SMILES notation for 3-(1-benzofuran-3-yl)prop-2-en-1-ol?
The canonical SMILES for 3-(1-benzofuran-3-yl)prop-2-en-1-ol is OCC=Cc1coc2ccccc12.
What is the InChIKey of 3-(1-benzofuran-3-yl)prop-2-en-1-ol?
The InChIKey is XIKLHPSIMWWHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2/c12-7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-6,8,12H,7H2.
What are the key properties of 3-(1-benzofuran-3-yl)prop-2-en-1-ol?
3-(1-benzofuran-3-yl)prop-2-en-1-ol has a molecular weight of 174.20 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-3-yl)prop-2-en-1-ol is sourced from PubChem (CID 169453429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).