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

C11H12O2 — CID 14484886

IUPAC6-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol
SMILESC=CCc1cc2c(cc1O)CCO2
InChIInChI=1S/C11H12O2/c1-2-3-8-7-11-9(4-5-13-11)6-10(8)12/h2,6-7,12H,1,3-5H2
InChIKeyOANFSEHROSIYSQ-UHFFFAOYSA-N
MW176.21 g/mol
LogP2.06
Rot. Bonds2

About 6-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol

6-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol (PubChem CID 14484886) has the molecular formula C11H12O2 and a molecular weight of 176.21 g/mol. Its IUPAC name is 6-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol.

Molecular Properties

Compound Name6-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol
PubChem CID14484886
Molecular FormulaC11H12O2
Molecular Weight176.21 g/mol
Exact Mass176.08
IUPAC Name6-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol
SMILESC=CCc1cc2c(cc1O)CCO2
InChIInChI=1S/C11H12O2/c1-2-3-8-7-11-9(4-5-13-11)6-10(8)12/h2,6-7,12H,1,3-5H2
InChIKeyOANFSEHROSIYSQ-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 ≤ 500176.21
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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Related Compounds

6-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-5-ol
CID 14484893
2-(hydroxymethyl)-6-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol
CID 139704996
2-[3-(5-hydroxy-2,3-dihydro-1-benzofuran-6-yl)prop-1-enyl]benzonitrile
CID 54040786
2,4,5-tris(prop-2-enyl)phenol
CID 20562879
7-prop-2-enyl-2,3-dihydro-1-benzofuran-4-ol
CID 67107270
5-hydroxy-2,3-dihydro-1-benzofuran-6-carboxylic acid
CID 22159429
4-prop-2-enyl-2,3-dihydro-1-benzofuran
CID 67079342
6-bromo-2,3-dihydro-1-benzofuran-5-ol;methoxy(methoxymethoxy)methane
CID 22159432
1-(2,3-dihydro-1-benzofuran-5-yl)but-3-en-1-ol
CID 79734096
5-(2-amino-1-hydroxyethyl)-2,3-dihydro-1-benzofuran-6-ol
CID 83879252
5-methoxy-2,3-dihydro-1-benzofuran-6-ol
CID 10953886
4-(4-hydroxy-2-methyl-5-prop-2-enylphenyl)-5-methyl-2-prop-2-enylphenol
CID 54433702

Frequently Asked Questions

What is the IUPAC name of 6-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol?
The IUPAC name of 6-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol (CID 14484886) is 6-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol.
What is the SMILES notation for 6-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol?
The canonical SMILES for 6-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol is C=CCc1cc2c(cc1O)CCO2.
What is the InChIKey of 6-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol?
The InChIKey is OANFSEHROSIYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-2-3-8-7-11-9(4-5-13-11)6-10(8)12/h2,6-7,12H,1,3-5H2.
What are the key properties of 6-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol?
6-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol has a molecular weight of 176.21 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 6-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol is sourced from PubChem (CID 14484886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).