3-(1,3-dihydro-2-benzofuran-1-yl)propan-1-ol

C11H14O2 — CID 57246882

IUPAC3-(1,3-dihydro-2-benzofuran-1-yl)propan-1-ol
SMILESOCCCC1OCc2ccccc21
InChIInChI=1S/C11H14O2/c12-7-3-6-11-10-5-2-1-4-9(10)8-13-11/h1-2,4-5,11-12H,3,6-8H2
InChIKeyCRXIZXGNBHBOKZ-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.03
Rot. Bonds3

About 3-(1,3-dihydro-2-benzofuran-1-yl)propan-1-ol

3-(1,3-dihydro-2-benzofuran-1-yl)propan-1-ol (PubChem CID 57246882) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 3-(1,3-dihydro-2-benzofuran-1-yl)propan-1-ol.

Molecular Properties

Compound Name3-(1,3-dihydro-2-benzofuran-1-yl)propan-1-ol
PubChem CID57246882
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name3-(1,3-dihydro-2-benzofuran-1-yl)propan-1-ol
SMILESOCCCC1OCc2ccccc21
InChIInChI=1S/C11H14O2/c12-7-3-6-11-10-5-2-1-4-9(10)8-13-11/h1-2,4-5,11-12H,3,6-8H2
InChIKeyCRXIZXGNBHBOKZ-UHFFFAOYSA-N
XLogP2.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(1,3-dihydro-2-benzofuran-1-yl)propan-1-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 3-(1,3-dihydro-2-benzofuran-1-yl)propan-1-ol?
The IUPAC name of 3-(1,3-dihydro-2-benzofuran-1-yl)propan-1-ol (CID 57246882) is 3-(1,3-dihydro-2-benzofuran-1-yl)propan-1-ol.
What is the SMILES notation for 3-(1,3-dihydro-2-benzofuran-1-yl)propan-1-ol?
The canonical SMILES for 3-(1,3-dihydro-2-benzofuran-1-yl)propan-1-ol is OCCCC1OCc2ccccc21.
What is the InChIKey of 3-(1,3-dihydro-2-benzofuran-1-yl)propan-1-ol?
The InChIKey is CRXIZXGNBHBOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c12-7-3-6-11-10-5-2-1-4-9(10)8-13-11/h1-2,4-5,11-12H,3,6-8H2.
What are the key properties of 3-(1,3-dihydro-2-benzofuran-1-yl)propan-1-ol?
3-(1,3-dihydro-2-benzofuran-1-yl)propan-1-ol has a molecular weight of 178.23 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dihydro-2-benzofuran-1-yl)propan-1-ol is sourced from PubChem (CID 57246882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).