[7-[(E)-but-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]methanol

C13H16O2 — CID 58242256

IUPAC[7-[(E)-but-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]methanol
SMILESCC/C=C/c1cccc2c1OC(CO)C2
InChIInChI=1S/C13H16O2/c1-2-3-5-10-6-4-7-11-8-12(9-14)15-13(10)11/h3-7,12,14H,2,8-9H2,1H3/b5-3+
InChIKeyZFJCGZXLLGIFQQ-HWKANZROSA-N
MW204.27 g/mol
LogP2.41
Rot. Bonds3

About [7-[(E)-but-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]methanol

[7-[(E)-but-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]methanol (PubChem CID 58242256) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is [7-[(E)-but-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]methanol.

Molecular Properties

Compound Name[7-[(E)-but-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]methanol
PubChem CID58242256
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name[7-[(E)-but-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]methanol
SMILESCC/C=C/c1cccc2c1OC(CO)C2
InChIInChI=1S/C13H16O2/c1-2-3-5-10-6-4-7-11-8-12(9-14)15-13(10)11/h3-7,12,14H,2,8-9H2,1H3/b5-3+
InChIKeyZFJCGZXLLGIFQQ-HWKANZROSA-N
XLogP2.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [7-[(E)-but-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]methanol?
The IUPAC name of [7-[(E)-but-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]methanol (CID 58242256) is [7-[(E)-but-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]methanol.
What is the SMILES notation for [7-[(E)-but-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]methanol?
The canonical SMILES for [7-[(E)-but-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]methanol is CC/C=C/c1cccc2c1OC(CO)C2.
What is the InChIKey of [7-[(E)-but-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]methanol?
The InChIKey is ZFJCGZXLLGIFQQ-HWKANZROSA-N. The full InChI is InChI=1S/C13H16O2/c1-2-3-5-10-6-4-7-11-8-12(9-14)15-13(10)11/h3-7,12,14H,2,8-9H2,1H3/b5-3+.
What are the key properties of [7-[(E)-but-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]methanol?
[7-[(E)-but-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]methanol has a molecular weight of 204.27 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[(E)-but-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]methanol is sourced from PubChem (CID 58242256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).