4-tert-butyl-3-methyl-2-[(Z)-prop-1-enyl]-1-benzofuran

C16H20O — CID 167164407

IUPAC4-tert-butyl-3-methyl-2-[(Z)-prop-1-enyl]-1-benzofuran
SMILESC/C=C\c1oc2cccc(C(C)(C)C)c2c1C
InChIInChI=1S/C16H20O/c1-6-8-13-11(2)15-12(16(3,4)5)9-7-10-14(15)17-13/h6-10H,1-5H3/b8-6-
InChIKeyQXVDJCLGIUUOAH-VURMDHGXSA-N
MW228.34 g/mol
LogP5.07
Rot. Bonds1

About 4-tert-butyl-3-methyl-2-[(Z)-prop-1-enyl]-1-benzofuran

4-tert-butyl-3-methyl-2-[(Z)-prop-1-enyl]-1-benzofuran (PubChem CID 167164407) has the molecular formula C16H20O and a molecular weight of 228.34 g/mol. Its IUPAC name is 4-tert-butyl-3-methyl-2-[(Z)-prop-1-enyl]-1-benzofuran.

Molecular Properties

Compound Name4-tert-butyl-3-methyl-2-[(Z)-prop-1-enyl]-1-benzofuran
PubChem CID167164407
Molecular FormulaC16H20O
Molecular Weight228.34 g/mol
Exact Mass228.15
IUPAC Name4-tert-butyl-3-methyl-2-[(Z)-prop-1-enyl]-1-benzofuran
SMILESC/C=C\c1oc2cccc(C(C)(C)C)c2c1C
InChIInChI=1S/C16H20O/c1-6-8-13-11(2)15-12(16(3,4)5)9-7-10-14(15)17-13/h6-10H,1-5H3/b8-6-
InChIKeyQXVDJCLGIUUOAH-VURMDHGXSA-N
XLogP5.07
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.34
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-tert-butyl-3-methyl-2-[(Z)-prop-1-enyl]-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

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-methyl-2-[(Z)-prop-1-enyl]-1-benzofuran?
The IUPAC name of 4-tert-butyl-3-methyl-2-[(Z)-prop-1-enyl]-1-benzofuran (CID 167164407) is 4-tert-butyl-3-methyl-2-[(Z)-prop-1-enyl]-1-benzofuran.
What is the SMILES notation for 4-tert-butyl-3-methyl-2-[(Z)-prop-1-enyl]-1-benzofuran?
The canonical SMILES for 4-tert-butyl-3-methyl-2-[(Z)-prop-1-enyl]-1-benzofuran is C/C=C\c1oc2cccc(C(C)(C)C)c2c1C.
What is the InChIKey of 4-tert-butyl-3-methyl-2-[(Z)-prop-1-enyl]-1-benzofuran?
The InChIKey is QXVDJCLGIUUOAH-VURMDHGXSA-N. The full InChI is InChI=1S/C16H20O/c1-6-8-13-11(2)15-12(16(3,4)5)9-7-10-14(15)17-13/h6-10H,1-5H3/b8-6-.
What are the key properties of 4-tert-butyl-3-methyl-2-[(Z)-prop-1-enyl]-1-benzofuran?
4-tert-butyl-3-methyl-2-[(Z)-prop-1-enyl]-1-benzofuran has a molecular weight of 228.34 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 4-tert-butyl-3-methyl-2-[(Z)-prop-1-enyl]-1-benzofuran is sourced from PubChem (CID 167164407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).