4-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol

C11H12O2 — CID 14484887

IUPAC4-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol
SMILESC=CCc1c(O)ccc2c1CCO2
InChIInChI=1S/C11H12O2/c1-2-3-8-9-6-7-13-11(9)5-4-10(8)12/h2,4-5,12H,1,3,6-7H2
InChIKeyAATOWOBZKRHGSU-UHFFFAOYSA-N
MW176.22 g/mol
LogP2.06
Rot. Bonds2

About 4-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol

4-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol (PubChem CID 14484887) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is 4-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol.

Molecular Properties

Compound Name4-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol
PubChem CID14484887
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name4-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol
SMILESC=CCc1c(O)ccc2c1CCO2
InChIInChI=1S/C11H12O2/c1-2-3-8-9-6-7-13-11(9)5-4-10(8)12/h2,4-5,12H,1,3,6-7H2
InChIKeyAATOWOBZKRHGSU-UHFFFAOYSA-N
XLogP2.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol?
The IUPAC name of 4-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol (CID 14484887) is 4-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol.
What is the SMILES notation for 4-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol?
The canonical SMILES for 4-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol is C=CCc1c(O)ccc2c1CCO2.
What is the InChIKey of 4-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol?
The InChIKey is AATOWOBZKRHGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-2-3-8-9-6-7-13-11(9)5-4-10(8)12/h2,4-5,12H,1,3,6-7H2.
What are the key properties of 4-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol?
4-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol has a molecular weight of 176.22 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol is sourced from PubChem (CID 14484887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).