6-tert-butyl-2-ethoxy-8-methyl-3,4-dihydro-2H-chromene

C16H24O2 — CID 24974646

IUPAC6-tert-butyl-2-ethoxy-8-methyl-3,4-dihydro-2H-chromene
SMILESCCOC1CCc2cc(C(C)(C)C)cc(C)c2O1
InChIInChI=1S/C16H24O2/c1-6-17-14-8-7-12-10-13(16(3,4)5)9-11(2)15(12)18-14/h9-10,14H,6-8H2,1-5H3
InChIKeyZOKVGXQHWWEUKQ-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.98
Rot. Bonds2

About 6-tert-butyl-2-ethoxy-8-methyl-3,4-dihydro-2H-chromene

6-tert-butyl-2-ethoxy-8-methyl-3,4-dihydro-2H-chromene (PubChem CID 24974646) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 6-tert-butyl-2-ethoxy-8-methyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name6-tert-butyl-2-ethoxy-8-methyl-3,4-dihydro-2H-chromene
PubChem CID24974646
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name6-tert-butyl-2-ethoxy-8-methyl-3,4-dihydro-2H-chromene
SMILESCCOC1CCc2cc(C(C)(C)C)cc(C)c2O1
InChIInChI=1S/C16H24O2/c1-6-17-14-8-7-12-10-13(16(3,4)5)9-11(2)15(12)18-14/h9-10,14H,6-8H2,1-5H3
InChIKeyZOKVGXQHWWEUKQ-UHFFFAOYSA-N
XLogP3.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-tert-butyl-2-ethoxy-8-methyl-3,4-dihydro-2H-chromene 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 6-tert-butyl-2-ethoxy-8-methyl-3,4-dihydro-2H-chromene?
The IUPAC name of 6-tert-butyl-2-ethoxy-8-methyl-3,4-dihydro-2H-chromene (CID 24974646) is 6-tert-butyl-2-ethoxy-8-methyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for 6-tert-butyl-2-ethoxy-8-methyl-3,4-dihydro-2H-chromene?
The canonical SMILES for 6-tert-butyl-2-ethoxy-8-methyl-3,4-dihydro-2H-chromene is CCOC1CCc2cc(C(C)(C)C)cc(C)c2O1.
What is the InChIKey of 6-tert-butyl-2-ethoxy-8-methyl-3,4-dihydro-2H-chromene?
The InChIKey is ZOKVGXQHWWEUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-6-17-14-8-7-12-10-13(16(3,4)5)9-11(2)15(12)18-14/h9-10,14H,6-8H2,1-5H3.
What are the key properties of 6-tert-butyl-2-ethoxy-8-methyl-3,4-dihydro-2H-chromene?
6-tert-butyl-2-ethoxy-8-methyl-3,4-dihydro-2H-chromene has a molecular weight of 248.37 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-ethoxy-8-methyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 24974646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).