(1S,3S)-3-tert-butyl-1-methyl-3-phenyl-1H-2-benzofuran

C19H22O — CID 155289572

IUPAC(1S,3S)-3-tert-butyl-1-methyl-3-phenyl-1H-2-benzofuran
SMILESC[C@@H]1O[C@](c2ccccc2)(C(C)(C)C)c2ccccc21
InChIInChI=1S/C19H22O/c1-14-16-12-8-9-13-17(16)19(20-14,18(2,3)4)15-10-6-5-7-11-15/h5-14H,1-4H3/t14-,19-/m0/s1
InChIKeyGUOUEHIWAIEAJX-LIRRHRJNSA-N
MW266.38 g/mol
LogP5.07
Rot. Bonds1

About (1S,3S)-3-tert-butyl-1-methyl-3-phenyl-1H-2-benzofuran

(1S,3S)-3-tert-butyl-1-methyl-3-phenyl-1H-2-benzofuran (PubChem CID 155289572) has the molecular formula C19H22O and a molecular weight of 266.38 g/mol. Its IUPAC name is (1S,3S)-3-tert-butyl-1-methyl-3-phenyl-1H-2-benzofuran.

Molecular Properties

Compound Name(1S,3S)-3-tert-butyl-1-methyl-3-phenyl-1H-2-benzofuran
PubChem CID155289572
Molecular FormulaC19H22O
Molecular Weight266.38 g/mol
Exact Mass266.17
IUPAC Name(1S,3S)-3-tert-butyl-1-methyl-3-phenyl-1H-2-benzofuran
SMILESC[C@@H]1O[C@](c2ccccc2)(C(C)(C)C)c2ccccc21
InChIInChI=1S/C19H22O/c1-14-16-12-8-9-13-17(16)19(20-14,18(2,3)4)15-10-6-5-7-11-15/h5-14H,1-4H3/t14-,19-/m0/s1
InChIKeyGUOUEHIWAIEAJX-LIRRHRJNSA-N
XLogP5.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.38
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1S,3S)-3-tert-butyl-1-methyl-3-phenyl-1H-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

3,4-dimethyl-2,2-diphenyloxetane
CID 14290990
5,5-difluoro-1-methyl-3,4-dihydro-1H-2-benzoxepine
CID 165409714
(2S,3S)-3-methyl-2-(2,3,4,5,6-pentafluorophenyl)-2-phenyloxirane
CID 56964819
(1R,9R)-8-tert-butyl-9-phenyl-10,11,12-trioxatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
CID 134937131
2,3,5,6-tetramethyl-2,3-diphenyl-1,4-dioxane
CID 154019435
1,8-diphenyl-15-oxapentacyclo[6.6.1.13,6.02,7.09,14]hexadeca-9,11,13-triene
CID 3757880
ethane;2-methyl-4,4-diphenyl-1,3-benzodioxine
CID 162436655
(1R,4S)-N,4-dimethyl-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxamide
CID 143660147
(1S,8R,9R,12S)-10,11-dimethylidene-1,8-diphenyl-13-oxatetracyclo[6.4.1.02,7.09,12]trideca-2,4,6-triene
CID 177491347
(1S,3S)-2-methyl-2-phenyl-1,3-dihydroindene-1,3-diol
CID 125481717
(1S,3S)-1,3-dimethyl-2-phenyl-1,3-dihydroinden-2-ol
CID 10537911
1,8-diphenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene-9,10-dicarbonitrile
CID 22016377

Frequently Asked Questions

What is the IUPAC name of (1S,3S)-3-tert-butyl-1-methyl-3-phenyl-1H-2-benzofuran?
The IUPAC name of (1S,3S)-3-tert-butyl-1-methyl-3-phenyl-1H-2-benzofuran (CID 155289572) is (1S,3S)-3-tert-butyl-1-methyl-3-phenyl-1H-2-benzofuran.
What is the SMILES notation for (1S,3S)-3-tert-butyl-1-methyl-3-phenyl-1H-2-benzofuran?
The canonical SMILES for (1S,3S)-3-tert-butyl-1-methyl-3-phenyl-1H-2-benzofuran is C[C@@H]1O[C@](c2ccccc2)(C(C)(C)C)c2ccccc21.
What is the InChIKey of (1S,3S)-3-tert-butyl-1-methyl-3-phenyl-1H-2-benzofuran?
The InChIKey is GUOUEHIWAIEAJX-LIRRHRJNSA-N. The full InChI is InChI=1S/C19H22O/c1-14-16-12-8-9-13-17(16)19(20-14,18(2,3)4)15-10-6-5-7-11-15/h5-14H,1-4H3/t14-,19-/m0/s1.
What are the key properties of (1S,3S)-3-tert-butyl-1-methyl-3-phenyl-1H-2-benzofuran?
(1S,3S)-3-tert-butyl-1-methyl-3-phenyl-1H-2-benzofuran has a molecular weight of 266.38 g/mol, XLogP of 5.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S)-3-tert-butyl-1-methyl-3-phenyl-1H-2-benzofuran is sourced from PubChem (CID 155289572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).