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

C12H14O2 — CID 14484952

IUPAC4-methyl-6-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol
SMILESC=CCc1cc2c(c(C)c1O)CCO2
InChIInChI=1S/C12H14O2/c1-3-4-9-7-11-10(5-6-14-11)8(2)12(9)13/h3,7,13H,1,4-6H2,2H3
InChIKeyQKWNMJFNRFJGED-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.36
Rot. Bonds2

About 4-methyl-6-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol

4-methyl-6-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol (PubChem CID 14484952) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 4-methyl-6-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol.

Molecular Properties

Compound Name4-methyl-6-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol
PubChem CID14484952
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name4-methyl-6-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol
SMILESC=CCc1cc2c(c(C)c1O)CCO2
InChIInChI=1S/C12H14O2/c1-3-4-9-7-11-10(5-6-14-11)8(2)12(9)13/h3,7,13H,1,4-6H2,2H3
InChIKeyQKWNMJFNRFJGED-UHFFFAOYSA-N
XLogP2.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-methyl-6-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol?
The IUPAC name of 4-methyl-6-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol (CID 14484952) is 4-methyl-6-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol.
What is the SMILES notation for 4-methyl-6-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol?
The canonical SMILES for 4-methyl-6-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol is C=CCc1cc2c(c(C)c1O)CCO2.
What is the InChIKey of 4-methyl-6-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol?
The InChIKey is QKWNMJFNRFJGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-3-4-9-7-11-10(5-6-14-11)8(2)12(9)13/h3,7,13H,1,4-6H2,2H3.
What are the key properties of 4-methyl-6-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol?
4-methyl-6-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol has a molecular weight of 190.24 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol is sourced from PubChem (CID 14484952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).