7-[(2,3-dimethyl-4-propylphenoxy)methyl]-2-propyl-1-benzofuran-5-ol

C23H28O3 — CID 155275797

IUPAC7-[(2,3-dimethyl-4-propylphenoxy)methyl]-2-propyl-1-benzofuran-5-ol
SMILESCCCc1cc2cc(O)cc(COc3ccc(CCC)c(C)c3C)c2o1
InChIInChI=1S/C23H28O3/c1-5-7-17-9-10-22(16(4)15(17)3)25-14-19-12-20(24)11-18-13-21(8-6-2)26-23(18)19/h9-13,24H,5-8,14H2,1-4H3
InChIKeyWIMYXQPSKYVSFA-UHFFFAOYSA-N
MW352.47 g/mol
LogP6.24
Rot. Bonds7

About 7-[(2,3-dimethyl-4-propylphenoxy)methyl]-2-propyl-1-benzofuran-5-ol

7-[(2,3-dimethyl-4-propylphenoxy)methyl]-2-propyl-1-benzofuran-5-ol (PubChem CID 155275797) has the molecular formula C23H28O3 and a molecular weight of 352.47 g/mol. Its IUPAC name is 7-[(2,3-dimethyl-4-propylphenoxy)methyl]-2-propyl-1-benzofuran-5-ol.

Molecular Properties

Compound Name7-[(2,3-dimethyl-4-propylphenoxy)methyl]-2-propyl-1-benzofuran-5-ol
PubChem CID155275797
Molecular FormulaC23H28O3
Molecular Weight352.47 g/mol
Exact Mass352.20
IUPAC Name7-[(2,3-dimethyl-4-propylphenoxy)methyl]-2-propyl-1-benzofuran-5-ol
SMILESCCCc1cc2cc(O)cc(COc3ccc(CCC)c(C)c3C)c2o1
InChIInChI=1S/C23H28O3/c1-5-7-17-9-10-22(16(4)15(17)3)25-14-19-12-20(24)11-18-13-21(8-6-2)26-23(18)19/h9-13,24H,5-8,14H2,1-4H3
InChIKeyWIMYXQPSKYVSFA-UHFFFAOYSA-N
XLogP6.24
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.47
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-[(2,3-dimethyl-4-propylphenoxy)methyl]-2-propyl-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 7-[(2,3-dimethyl-4-propylphenoxy)methyl]-2-propyl-1-benzofuran-5-ol?
The IUPAC name of 7-[(2,3-dimethyl-4-propylphenoxy)methyl]-2-propyl-1-benzofuran-5-ol (CID 155275797) is 7-[(2,3-dimethyl-4-propylphenoxy)methyl]-2-propyl-1-benzofuran-5-ol.
What is the SMILES notation for 7-[(2,3-dimethyl-4-propylphenoxy)methyl]-2-propyl-1-benzofuran-5-ol?
The canonical SMILES for 7-[(2,3-dimethyl-4-propylphenoxy)methyl]-2-propyl-1-benzofuran-5-ol is CCCc1cc2cc(O)cc(COc3ccc(CCC)c(C)c3C)c2o1.
What is the InChIKey of 7-[(2,3-dimethyl-4-propylphenoxy)methyl]-2-propyl-1-benzofuran-5-ol?
The InChIKey is WIMYXQPSKYVSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O3/c1-5-7-17-9-10-22(16(4)15(17)3)25-14-19-12-20(24)11-18-13-21(8-6-2)26-23(18)19/h9-13,24H,5-8,14H2,1-4H3.
What are the key properties of 7-[(2,3-dimethyl-4-propylphenoxy)methyl]-2-propyl-1-benzofuran-5-ol?
7-[(2,3-dimethyl-4-propylphenoxy)methyl]-2-propyl-1-benzofuran-5-ol has a molecular weight of 352.47 g/mol, XLogP of 6.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,3-dimethyl-4-propylphenoxy)methyl]-2-propyl-1-benzofuran-5-ol is sourced from PubChem (CID 155275797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).