1,1-dimethyl-3-phenyl-3-(3-phenylpropyl)-2-benzofuran

C25H26O — CID 177421656

IUPAC1,1-dimethyl-3-phenyl-3-(3-phenylpropyl)-2-benzofuran
SMILESCC1(C)OC(CCCc2ccccc2)(c2ccccc2)c2ccccc21
InChIInChI=1S/C25H26O/c1-24(2)22-17-9-10-18-23(22)25(26-24,21-15-7-4-8-16-21)19-11-14-20-12-5-3-6-13-20/h3-10,12-13,15-18H,11,14,19H2,1-2H3
InChIKeyDXSRSEFORLIJLP-UHFFFAOYSA-N
MW342.48 g/mol
LogP6.22
Rot. Bonds5

About 1,1-dimethyl-3-phenyl-3-(3-phenylpropyl)-2-benzofuran

1,1-dimethyl-3-phenyl-3-(3-phenylpropyl)-2-benzofuran (PubChem CID 177421656) has the molecular formula C25H26O and a molecular weight of 342.48 g/mol. Its IUPAC name is 1,1-dimethyl-3-phenyl-3-(3-phenylpropyl)-2-benzofuran.

Molecular Properties

Compound Name1,1-dimethyl-3-phenyl-3-(3-phenylpropyl)-2-benzofuran
PubChem CID177421656
Molecular FormulaC25H26O
Molecular Weight342.48 g/mol
Exact Mass342.20
IUPAC Name1,1-dimethyl-3-phenyl-3-(3-phenylpropyl)-2-benzofuran
SMILESCC1(C)OC(CCCc2ccccc2)(c2ccccc2)c2ccccc21
InChIInChI=1S/C25H26O/c1-24(2)22-17-9-10-18-23(22)25(26-24,21-15-7-4-8-16-21)19-11-14-20-12-5-3-6-13-20/h3-10,12-13,15-18H,11,14,19H2,1-2H3
InChIKeyDXSRSEFORLIJLP-UHFFFAOYSA-N
XLogP6.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.48
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,1-dimethyl-3-phenyl-3-(3-phenylpropyl)-2-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-5-phenyl-5-(3-phenylpropyl)oxolane
CID 166443548
4-phenylbutylbenzene
CID 141301927
5-methyl-5-(3-phenylpropyl)-1,3-dioxane-4,6-dione
CID 118947181
2-(1-methylcyclopropyl)ethylbenzene
CID 18548209
4,4,6,6-tetramethyl-2-(3-phenylpropoxy)-1,3,2lambda5-dioxaphosphinane 2-oxide
CID 15019172
1,4-bis(3-phenylpropyl)benzene
CID 59467322
hafnium;4-phenylbutylbenzene
CID 175889972
methane;4-phenylbutylbenzene
CID 173386802
CID 159131095
CID 159131095
(1S,5R)-3,6,6-trimethyl-3-(3-phenylpropyl)bicyclo[3.1.0]hexane
CID 160840078
4,4-dimethyl-1-(3-phenylpropyl)cyclohexan-1-ol
CID 10490686
1-(4-phenylbutyl)cyclopropane-1-carboxylic acid
CID 114334160

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-phenyl-3-(3-phenylpropyl)-2-benzofuran?
The IUPAC name of 1,1-dimethyl-3-phenyl-3-(3-phenylpropyl)-2-benzofuran (CID 177421656) is 1,1-dimethyl-3-phenyl-3-(3-phenylpropyl)-2-benzofuran.
What is the SMILES notation for 1,1-dimethyl-3-phenyl-3-(3-phenylpropyl)-2-benzofuran?
The canonical SMILES for 1,1-dimethyl-3-phenyl-3-(3-phenylpropyl)-2-benzofuran is CC1(C)OC(CCCc2ccccc2)(c2ccccc2)c2ccccc21.
What is the InChIKey of 1,1-dimethyl-3-phenyl-3-(3-phenylpropyl)-2-benzofuran?
The InChIKey is DXSRSEFORLIJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O/c1-24(2)22-17-9-10-18-23(22)25(26-24,21-15-7-4-8-16-21)19-11-14-20-12-5-3-6-13-20/h3-10,12-13,15-18H,11,14,19H2,1-2H3.
What are the key properties of 1,1-dimethyl-3-phenyl-3-(3-phenylpropyl)-2-benzofuran?
1,1-dimethyl-3-phenyl-3-(3-phenylpropyl)-2-benzofuran has a molecular weight of 342.48 g/mol, XLogP of 6.22, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-phenyl-3-(3-phenylpropyl)-2-benzofuran is sourced from PubChem (CID 177421656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).