1-(2,3-dihydro-1-benzofuran-5-yl)but-3-en-1-ol

C12H14O2 — CID 79734096

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)but-3-en-1-ol
SMILESC=CCC(O)c1ccc2c(c1)CCO2
InChIInChI=1S/C12H14O2/c1-2-3-11(13)9-4-5-12-10(8-9)6-7-14-12/h2,4-5,8,11,13H,1,3,6-7H2
InChIKeyCBUSNSBLVYEUEY-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.23
Rot. Bonds3

About 1-(2,3-dihydro-1-benzofuran-5-yl)but-3-en-1-ol

1-(2,3-dihydro-1-benzofuran-5-yl)but-3-en-1-ol (PubChem CID 79734096) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)but-3-en-1-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)but-3-en-1-ol
PubChem CID79734096
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)but-3-en-1-ol
SMILESC=CCC(O)c1ccc2c(c1)CCO2
InChIInChI=1S/C12H14O2/c1-2-3-11(13)9-4-5-12-10(8-9)6-7-14-12/h2,4-5,8,11,13H,1,3,6-7H2
InChIKeyCBUSNSBLVYEUEY-UHFFFAOYSA-N
XLogP2.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.23
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-(2,3-dihydro-1-benzofuran-5-yl)butan-1-ol
CID 61100081
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methoxyethanol
CID 79567949
1-(2,3-dihydro-1-benzofuran-5-yl)hexan-1-ol
CID 61099251
1-(2,3-dihydro-1-benzofuran-5-yl)-2-propan-2-yloxyethanol
CID 79567818
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(furan-2-yl)ethanol
CID 83171228
1-(2,3-dihydro-1-benzofuran-5-yl)hex-5-enylhydrazine
CID 105311312
1-(2,3-dihydro-1-benzofuran-5-yl)butane-1,2-diol
CID 103454434
2-amino-1-(3,4-dihydro-2H-chromen-6-yl)ethanol
CID 82241106
1-(2,3-dihydro-1-benzofuran-5-yl)-3-sulfanylpropane-1,2-diol
CID 170820027
2-(3-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 62505676
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methylphenyl)ethanol
CID 61100428
1-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridin-4-ylpropan-1-ol
CID 105125169

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)but-3-en-1-ol?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)but-3-en-1-ol (CID 79734096) is 1-(2,3-dihydro-1-benzofuran-5-yl)but-3-en-1-ol.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)but-3-en-1-ol?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)but-3-en-1-ol is C=CCC(O)c1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)but-3-en-1-ol?
The InChIKey is CBUSNSBLVYEUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-2-3-11(13)9-4-5-12-10(8-9)6-7-14-12/h2,4-5,8,11,13H,1,3,6-7H2.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)but-3-en-1-ol?
1-(2,3-dihydro-1-benzofuran-5-yl)but-3-en-1-ol has a molecular weight of 190.24 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)but-3-en-1-ol is sourced from PubChem (CID 79734096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).