6-propyl-2,3-dihydro-1-benzofuran-5-ol

C11H14O2 — CID 5324657

IUPAC6-propyl-2,3-dihydro-1-benzofuran-5-ol
SMILESCCCc1cc2c(cc1O)CCO2
InChIInChI=1S/C11H14O2/c1-2-3-8-7-11-9(4-5-13-11)6-10(8)12/h6-7,12H,2-5H2,1H3
InChIKeyYXKCNDYZCOTJFJ-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.28
Rot. Bonds2

About 6-propyl-2,3-dihydro-1-benzofuran-5-ol

6-propyl-2,3-dihydro-1-benzofuran-5-ol (PubChem CID 5324657) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 6-propyl-2,3-dihydro-1-benzofuran-5-ol.

Molecular Properties

Compound Name6-propyl-2,3-dihydro-1-benzofuran-5-ol
PubChem CID5324657
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name6-propyl-2,3-dihydro-1-benzofuran-5-ol
SMILESCCCc1cc2c(cc1O)CCO2
InChIInChI=1S/C11H14O2/c1-2-3-8-7-11-9(4-5-13-11)6-10(8)12/h6-7,12H,2-5H2,1H3
InChIKeyYXKCNDYZCOTJFJ-UHFFFAOYSA-N
XLogP2.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-propyl-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 6-propyl-2,3-dihydro-1-benzofuran-5-ol?
The IUPAC name of 6-propyl-2,3-dihydro-1-benzofuran-5-ol (CID 5324657) is 6-propyl-2,3-dihydro-1-benzofuran-5-ol.
What is the SMILES notation for 6-propyl-2,3-dihydro-1-benzofuran-5-ol?
The canonical SMILES for 6-propyl-2,3-dihydro-1-benzofuran-5-ol is CCCc1cc2c(cc1O)CCO2.
What is the InChIKey of 6-propyl-2,3-dihydro-1-benzofuran-5-ol?
The InChIKey is YXKCNDYZCOTJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-2-3-8-7-11-9(4-5-13-11)6-10(8)12/h6-7,12H,2-5H2,1H3.
What are the key properties of 6-propyl-2,3-dihydro-1-benzofuran-5-ol?
6-propyl-2,3-dihydro-1-benzofuran-5-ol has a molecular weight of 178.23 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propyl-2,3-dihydro-1-benzofuran-5-ol is sourced from PubChem (CID 5324657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).