2-tert-butyl-5-(4-methylphenyl)-3-phenylfuran

C21H22O — CID 24751820

IUPAC2-tert-butyl-5-(4-methylphenyl)-3-phenylfuran
SMILESCc1ccc(-c2cc(-c3ccccc3)c(C(C)(C)C)o2)cc1
InChIInChI=1S/C21H22O/c1-15-10-12-17(13-11-15)19-14-18(16-8-6-5-7-9-16)20(22-19)21(2,3)4/h5-14H,1-4H3
InChIKeyBLZMMEILLKLXLV-UHFFFAOYSA-N
MW290.41 g/mol
LogP6.22
Rot. Bonds2

About 2-tert-butyl-5-(4-methylphenyl)-3-phenylfuran

2-tert-butyl-5-(4-methylphenyl)-3-phenylfuran (PubChem CID 24751820) has the molecular formula C21H22O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-tert-butyl-5-(4-methylphenyl)-3-phenylfuran.

Molecular Properties

Compound Name2-tert-butyl-5-(4-methylphenyl)-3-phenylfuran
PubChem CID24751820
Molecular FormulaC21H22O
Molecular Weight290.41 g/mol
Exact Mass290.17
IUPAC Name2-tert-butyl-5-(4-methylphenyl)-3-phenylfuran
SMILESCc1ccc(-c2cc(-c3ccccc3)c(C(C)(C)C)o2)cc1
InChIInChI=1S/C21H22O/c1-15-10-12-17(13-11-15)19-14-18(16-8-6-5-7-9-16)20(22-19)21(2,3)4/h5-14H,1-4H3
InChIKeyBLZMMEILLKLXLV-UHFFFAOYSA-N
XLogP6.22
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.41
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-tert-butyl-5-(4-methylphenyl)-3-phenylfuran 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-chloro-3,5-diphenylfuran
CID 10824877
6-methyl-2-(4-phenylphenyl)-1-benzofuran
CID 21446826
ethyl 6-(4-tert-butylphenyl)-2-oxo-4-phenylpyran-3-carboxylate
CID 138984794
5-(4-methoxyphenyl)-2,3-diphenylfuran
CID 2733040
3,4-diphenyl-6-(4-phenylphenyl)pyran-2-thione
CID 71379689
5-(4-bromophenyl)-2,3-bis(4-methylphenyl)furan
CID 71317707
2-[1-(3,5-diphenylfuran-2-yl)propyl]-3,5-diphenylfuran
CID 102516558
1-(4-methylphenyl)-3,5-bis(4-phenylphenyl)benzene
CID 142935427
ethane;bis(1-methyl-4-phenylbenzene);bis(1,4-xylene)
CID 159318661
ethane;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene
CID 142405863
1,4-bis(4-methylphenyl)-2,3-diphenylbenzene
CID 123305097
1-methyl-4-(4-methylphenyl)-2-phenylbenzene
CID 18683184

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(4-methylphenyl)-3-phenylfuran?
The IUPAC name of 2-tert-butyl-5-(4-methylphenyl)-3-phenylfuran (CID 24751820) is 2-tert-butyl-5-(4-methylphenyl)-3-phenylfuran.
What is the SMILES notation for 2-tert-butyl-5-(4-methylphenyl)-3-phenylfuran?
The canonical SMILES for 2-tert-butyl-5-(4-methylphenyl)-3-phenylfuran is Cc1ccc(-c2cc(-c3ccccc3)c(C(C)(C)C)o2)cc1.
What is the InChIKey of 2-tert-butyl-5-(4-methylphenyl)-3-phenylfuran?
The InChIKey is BLZMMEILLKLXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O/c1-15-10-12-17(13-11-15)19-14-18(16-8-6-5-7-9-16)20(22-19)21(2,3)4/h5-14H,1-4H3.
What are the key properties of 2-tert-butyl-5-(4-methylphenyl)-3-phenylfuran?
2-tert-butyl-5-(4-methylphenyl)-3-phenylfuran has a molecular weight of 290.41 g/mol, XLogP of 6.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(4-methylphenyl)-3-phenylfuran is sourced from PubChem (CID 24751820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).