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

C12H14O3 — CID 139704996

IUPAC2-(hydroxymethyl)-6-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol
SMILESC=CCc1cc2c(cc1O)CC(CO)O2
InChIInChI=1S/C12H14O3/c1-2-3-8-6-12-9(5-11(8)14)4-10(7-13)15-12/h2,5-6,10,13-14H,1,3-4,7H2
InChIKeyOCCCDQJZLWKJEZ-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.42
Rot. Bonds3

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

2-(hydroxymethyl)-6-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol (PubChem CID 139704996) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol.

Molecular Properties

Compound Name2-(hydroxymethyl)-6-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol
PubChem CID139704996
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name2-(hydroxymethyl)-6-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol
SMILESC=CCc1cc2c(cc1O)CC(CO)O2
InChIInChI=1S/C12H14O3/c1-2-3-8-6-12-9(5-11(8)14)4-10(7-13)15-12/h2,5-6,10,13-14H,1,3-4,7H2
InChIKeyOCCCDQJZLWKJEZ-UHFFFAOYSA-N
XLogP1.42
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(hydroxymethyl)-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

Related Compounds

6-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol
CID 14484886
2-(5-hydroxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetaldehyde
CID 83877987
2,4,5-tris(prop-2-enyl)phenol
CID 20562879
[(2R)-6-chloro-2,3-dihydro-1-benzofuran-2-yl]methanol
CID 101091624
[(2R)-5-bromo-2,3-dihydro-1-benzofuran-2-yl]methanol
CID 86326706
4-(4-hydroxy-2-methyl-5-prop-2-enylphenyl)-5-methyl-2-prop-2-enylphenol
CID 54433702
(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methanol
CID 23244646
(2R)-7-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromene-2,6-diol
CID 142737377
4-bromo-5-methyl-2-prop-2-enylphenol
CID 142719301
6-[(2E)-octa-2,7-dienyl]-1,3-benzodioxol-5-ol
CID 15496050
4-methyl-5-prop-2-enylbenzene-1,2-diol
CID 12635732
2-pentoxy-6-propyl-2,3-dihydro-1-benzofuran-5-ol
CID 139705011

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-6-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol?
The IUPAC name of 2-(hydroxymethyl)-6-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol (CID 139704996) is 2-(hydroxymethyl)-6-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol.
What is the SMILES notation for 2-(hydroxymethyl)-6-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol?
The canonical SMILES for 2-(hydroxymethyl)-6-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol is C=CCc1cc2c(cc1O)CC(CO)O2.
What is the InChIKey of 2-(hydroxymethyl)-6-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol?
The InChIKey is OCCCDQJZLWKJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-2-3-8-6-12-9(5-11(8)14)4-10(7-13)15-12/h2,5-6,10,13-14H,1,3-4,7H2.
What are the key properties of 2-(hydroxymethyl)-6-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol?
2-(hydroxymethyl)-6-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol has a molecular weight of 206.24 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-6-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol is sourced from PubChem (CID 139704996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).