7-(3-cyclopent-3-en-1-yl-3-phenylpropoxy)-2,2-dimethyl-3H-1-benzofuran

C24H28O2 — CID 173201713

IUPAC7-(3-cyclopent-3-en-1-yl-3-phenylpropoxy)-2,2-dimethyl-3H-1-benzofuran
SMILESCC1(C)Cc2cccc(OCCC(c3ccccc3)C3CC=CC3)c2O1
InChIInChI=1S/C24H28O2/c1-24(2)17-20-13-8-14-22(23(20)26-24)25-16-15-21(19-11-6-7-12-19)18-9-4-3-5-10-18/h3-10,13-14,19,21H,11-12,15-17H2,1-2H3
InChIKeyCWORKHZYRDANHH-UHFFFAOYSA-N
MW348.49 g/mol
LogP5.92
Rot. Bonds6

About 7-(3-cyclopent-3-en-1-yl-3-phenylpropoxy)-2,2-dimethyl-3H-1-benzofuran

7-(3-cyclopent-3-en-1-yl-3-phenylpropoxy)-2,2-dimethyl-3H-1-benzofuran (PubChem CID 173201713) has the molecular formula C24H28O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 7-(3-cyclopent-3-en-1-yl-3-phenylpropoxy)-2,2-dimethyl-3H-1-benzofuran.

Molecular Properties

Compound Name7-(3-cyclopent-3-en-1-yl-3-phenylpropoxy)-2,2-dimethyl-3H-1-benzofuran
PubChem CID173201713
Molecular FormulaC24H28O2
Molecular Weight348.49 g/mol
Exact Mass348.21
IUPAC Name7-(3-cyclopent-3-en-1-yl-3-phenylpropoxy)-2,2-dimethyl-3H-1-benzofuran
SMILESCC1(C)Cc2cccc(OCCC(c3ccccc3)C3CC=CC3)c2O1
InChIInChI=1S/C24H28O2/c1-24(2)17-20-13-8-14-22(23(20)26-24)25-16-15-21(19-11-6-7-12-19)18-9-4-3-5-10-18/h3-10,13-14,19,21H,11-12,15-17H2,1-2H3
InChIKeyCWORKHZYRDANHH-UHFFFAOYSA-N
XLogP5.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-(3-cyclopent-3-en-1-yl-3-phenylpropoxy)-2,2-dimethyl-3H-1-benzofuran 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

2,2-dimethyl-7-propoxy-3H-1-benzofuran
CID 54001928
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-(propan-2-ylamino)butan-1-ol
CID 64804395
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-(propylamino)butan-1-ol
CID 64804749
6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-methylhexan-3-amine
CID 106800682
2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]cyclopentan-1-ol
CID 79563593
1-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]azetidine
CID 141352701
2,2-dimethyl-7-prop-2-enoxy-3H-1-benzofuran
CID 54215280
N-[3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propyl]cyclopropanamine
CID 29015499
2,2-dimethyl-7-[[(2S)-oxiran-2-yl]methoxy]-3H-1-benzofuran
CID 30075050
7-(2,2-dimethoxyethoxy)-2,2-dimethyl-3H-1-benzofuran
CID 66222745
7-(3-azidopropoxy)-2,2-dimethyl-3H-1-benzofuran
CID 61397191
1-[3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propylsulfonyl]-3,5-dimethylpiperidine
CID 16884120

Frequently Asked Questions

What is the IUPAC name of 7-(3-cyclopent-3-en-1-yl-3-phenylpropoxy)-2,2-dimethyl-3H-1-benzofuran?
The IUPAC name of 7-(3-cyclopent-3-en-1-yl-3-phenylpropoxy)-2,2-dimethyl-3H-1-benzofuran (CID 173201713) is 7-(3-cyclopent-3-en-1-yl-3-phenylpropoxy)-2,2-dimethyl-3H-1-benzofuran.
What is the SMILES notation for 7-(3-cyclopent-3-en-1-yl-3-phenylpropoxy)-2,2-dimethyl-3H-1-benzofuran?
The canonical SMILES for 7-(3-cyclopent-3-en-1-yl-3-phenylpropoxy)-2,2-dimethyl-3H-1-benzofuran is CC1(C)Cc2cccc(OCCC(c3ccccc3)C3CC=CC3)c2O1.
What is the InChIKey of 7-(3-cyclopent-3-en-1-yl-3-phenylpropoxy)-2,2-dimethyl-3H-1-benzofuran?
The InChIKey is CWORKHZYRDANHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O2/c1-24(2)17-20-13-8-14-22(23(20)26-24)25-16-15-21(19-11-6-7-12-19)18-9-4-3-5-10-18/h3-10,13-14,19,21H,11-12,15-17H2,1-2H3.
What are the key properties of 7-(3-cyclopent-3-en-1-yl-3-phenylpropoxy)-2,2-dimethyl-3H-1-benzofuran?
7-(3-cyclopent-3-en-1-yl-3-phenylpropoxy)-2,2-dimethyl-3H-1-benzofuran has a molecular weight of 348.49 g/mol, XLogP of 5.92, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-cyclopent-3-en-1-yl-3-phenylpropoxy)-2,2-dimethyl-3H-1-benzofuran is sourced from PubChem (CID 173201713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).