1-(1-benzofuran-2-yl)-2-methoxypropan-1-ol

C12H14O3 — CID 114726943

IUPAC1-(1-benzofuran-2-yl)-2-methoxypropan-1-ol
SMILESCOC(C)C(O)c1cc2ccccc2o1
InChIInChI=1S/C12H14O3/c1-8(14-2)12(13)11-7-9-5-3-4-6-10(9)15-11/h3-8,12-13H,1-2H3
InChIKeyXENHJNYMCGOFME-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.50
Rot. Bonds3

About 1-(1-benzofuran-2-yl)-2-methoxypropan-1-ol

1-(1-benzofuran-2-yl)-2-methoxypropan-1-ol (PubChem CID 114726943) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-methoxypropan-1-ol.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-methoxypropan-1-ol
PubChem CID114726943
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name1-(1-benzofuran-2-yl)-2-methoxypropan-1-ol
SMILESCOC(C)C(O)c1cc2ccccc2o1
InChIInChI=1S/C12H14O3/c1-8(14-2)12(13)11-7-9-5-3-4-6-10(9)15-11/h3-8,12-13H,1-2H3
InChIKeyXENHJNYMCGOFME-UHFFFAOYSA-N
XLogP2.50
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(1-benzofuran-2-yl)-2-methoxypropyl]hydrazine
CID 105247149
1-(1-benzofuran-2-yl)-3-chloropropane-1,2-diol
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1-(1-benzofuran-2-yl)-2-pyridin-4-ylpropan-1-ol
CID 66458862
(2R)-2-(1-benzofuran-2-yl)-2-methoxyethanamine
CID 94846259
(1R)-1-(1-benzofuran-2-yl)ethanamine;hydrochloride
CID 75525569
N-[1-(1-benzofuran-2-yl)ethyl]-2-methoxy-N-methylpropanamide
CID 115588204
1-(1-benzofuran-2-yl)-2-methoxy-N,3-dimethylbutan-1-amine
CID 114731162
2-butan-2-yl-1-benzofuran
CID 12065919
1-benzofuran-2-yl-(1-methoxycyclobutyl)methanol
CID 114727316
1-(1-benzofuran-2-yl)but-2-en-1-ol
CID 150085441
1-(1-benzofuran-2-yl)ethanesulfonic acid
CID 87653215
1-(1-benzofuran-2-yl)-3-phenylbutan-1-ol
CID 114723712

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-methoxypropan-1-ol?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-methoxypropan-1-ol (CID 114726943) is 1-(1-benzofuran-2-yl)-2-methoxypropan-1-ol.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-methoxypropan-1-ol?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-methoxypropan-1-ol is COC(C)C(O)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-methoxypropan-1-ol?
The InChIKey is XENHJNYMCGOFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-8(14-2)12(13)11-7-9-5-3-4-6-10(9)15-11/h3-8,12-13H,1-2H3.
What are the key properties of 1-(1-benzofuran-2-yl)-2-methoxypropan-1-ol?
1-(1-benzofuran-2-yl)-2-methoxypropan-1-ol has a molecular weight of 206.24 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-2-methoxypropan-1-ol is sourced from PubChem (CID 114726943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).