6-[3-(4-chlorophenoxy)propyl]-2,3-dihydro-1-benzofuran-5-ol

C17H17ClO3 — CID 14484922

IUPAC6-[3-(4-chlorophenoxy)propyl]-2,3-dihydro-1-benzofuran-5-ol
SMILESOc1cc2c(cc1CCCOc1ccc(Cl)cc1)OCC2
InChIInChI=1S/C17H17ClO3/c18-14-3-5-15(6-4-14)20-8-1-2-12-11-17-13(7-9-21-17)10-16(12)19/h3-6,10-11,19H,1-2,7-9H2
InChIKeyXYJDJJQSSRYGNO-UHFFFAOYSA-N
MW304.77 g/mol
LogP3.99
Rot. Bonds5

About 6-[3-(4-chlorophenoxy)propyl]-2,3-dihydro-1-benzofuran-5-ol

6-[3-(4-chlorophenoxy)propyl]-2,3-dihydro-1-benzofuran-5-ol (PubChem CID 14484922) has the molecular formula C17H17ClO3 and a molecular weight of 304.77 g/mol. Its IUPAC name is 6-[3-(4-chlorophenoxy)propyl]-2,3-dihydro-1-benzofuran-5-ol.

Molecular Properties

Compound Name6-[3-(4-chlorophenoxy)propyl]-2,3-dihydro-1-benzofuran-5-ol
PubChem CID14484922
Molecular FormulaC17H17ClO3
Molecular Weight304.77 g/mol
Exact Mass304.09
IUPAC Name6-[3-(4-chlorophenoxy)propyl]-2,3-dihydro-1-benzofuran-5-ol
SMILESOc1cc2c(cc1CCCOc1ccc(Cl)cc1)OCC2
InChIInChI=1S/C17H17ClO3/c18-14-3-5-15(6-4-14)20-8-1-2-12-11-17-13(7-9-21-17)10-16(12)19/h3-6,10-11,19H,1-2,7-9H2
InChIKeyXYJDJJQSSRYGNO-UHFFFAOYSA-N
XLogP3.99
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.77
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-[3-(4-chlorophenoxy)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

Related Compounds

2,3-Dihydro-5-hydroxybenzo(b)furan
CID 11126311
L 670630
CID 124255
6-Propyl-2,3-dihydro-1-benzofuran-5-ol
CID 5324657
L 651896
CID 6438824
2-Phenethyl-2,3-dihydrobenzofuran-5-ol
CID 9881247
6-Prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol
CID 14484886
6-(3-Phenoxypropyl)-2,3-dihydro-1-benzofuran-5-ol
CID 14484904
4-(3-Phenoxypropyl)-2,3-dihydro-1-benzofuran-5-ol
CID 14484905
6-[3-[4-(2-Hydroxyethyl)phenoxy]propyl]-2,3-dihydro-1-benzofuran-5-ol
CID 14484909
6-[3-[3-(2-Hydroxyethyl)phenoxy]propyl]-2,3-dihydro-1-benzofuran-5-ol
CID 14484910
6-[3-(4-Propylphenoxy)propyl]-2,3-dihydro-1-benzofuran-5-ol
CID 14484912
6-Benzyl-2,3-dihydro-1-benzofuran-5-ol
CID 14484913

Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-chlorophenoxy)propyl]-2,3-dihydro-1-benzofuran-5-ol?
The IUPAC name of 6-[3-(4-chlorophenoxy)propyl]-2,3-dihydro-1-benzofuran-5-ol (CID 14484922) is 6-[3-(4-chlorophenoxy)propyl]-2,3-dihydro-1-benzofuran-5-ol.
What is the SMILES notation for 6-[3-(4-chlorophenoxy)propyl]-2,3-dihydro-1-benzofuran-5-ol?
The canonical SMILES for 6-[3-(4-chlorophenoxy)propyl]-2,3-dihydro-1-benzofuran-5-ol is Oc1cc2c(cc1CCCOc1ccc(Cl)cc1)OCC2.
What is the InChIKey of 6-[3-(4-chlorophenoxy)propyl]-2,3-dihydro-1-benzofuran-5-ol?
The InChIKey is XYJDJJQSSRYGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO3/c18-14-3-5-15(6-4-14)20-8-1-2-12-11-17-13(7-9-21-17)10-16(12)19/h3-6,10-11,19H,1-2,7-9H2.
What are the key properties of 6-[3-(4-chlorophenoxy)propyl]-2,3-dihydro-1-benzofuran-5-ol?
6-[3-(4-chlorophenoxy)propyl]-2,3-dihydro-1-benzofuran-5-ol has a molecular weight of 304.77 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-chlorophenoxy)propyl]-2,3-dihydro-1-benzofuran-5-ol is sourced from PubChem (CID 14484922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).