1-benzofuran;4-tert-butyl-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-2,3-dihydro-1-benzofuran;2H-chromene;bis(2,2-dimethylpropane)

C62H84O6 — CID 162050630

IUPAC1-benzofuran;4-tert-butyl-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-2,3-dihydro-1-benzofuran;2H-chromene;bis(2,2-dimethylpropane)
SMILESC1=Cc2ccccc2OC1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1ccc2c(c1)CCO2.CC(C)(C)c1cccc2c1OCC2.CC(C)(C)c1cccc2c1OCO2.c1ccc2occc2c1
InChIInChI=1S/2C12H16O.C11H14O2.C9H8O.C8H6O.2C5H12/c1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)10-6-4-5-9-7-8-13-11(9)10;1-11(2,3)8-5-4-6-9-10(8)13-7-12-9;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-8-7(3-1)5-6-9-8;2*1-5(2,3)4/h4-5,8H,6-7H2,1-3H3;4-6H,7-8H2,1-3H3;4-6H,7H2,1-3H3;1-6H,7H2;1-6H;2*1-4H3
InChIKeyYYMQLMRDEFLVOT-UHFFFAOYSA-N
MW925.35 g/mol
LogP17.18
Rot. Bonds

About 1-benzofuran;4-tert-butyl-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-2,3-dihydro-1-benzofuran;2H-chromene;bis(2,2-dimethylpropane)

1-benzofuran;4-tert-butyl-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-2,3-dihydro-1-benzofuran;2H-chromene;bis(2,2-dimethylpropane) (PubChem CID 162050630) has the molecular formula C62H84O6 and a molecular weight of 925.35 g/mol. Its IUPAC name is 1-benzofuran;4-tert-butyl-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-2,3-dihydro-1-benzofuran;2H-chromene;bis(2,2-dimethylpropane).

Molecular Properties

Compound Name1-benzofuran;4-tert-butyl-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-2,3-dihydro-1-benzofuran;2H-chromene;bis(2,2-dimethylpropane)
PubChem CID162050630
Molecular FormulaC62H84O6
Molecular Weight925.35 g/mol
Exact Mass924.63
IUPAC Name1-benzofuran;4-tert-butyl-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-2,3-dihydro-1-benzofuran;2H-chromene;bis(2,2-dimethylpropane)
SMILESC1=Cc2ccccc2OC1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1ccc2c(c1)CCO2.CC(C)(C)c1cccc2c1OCC2.CC(C)(C)c1cccc2c1OCO2.c1ccc2occc2c1
InChIInChI=1S/2C12H16O.C11H14O2.C9H8O.C8H6O.2C5H12/c1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)10-6-4-5-9-7-8-13-11(9)10;1-11(2,3)8-5-4-6-9-10(8)13-7-12-9;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-8-7(3-1)5-6-9-8;2*1-5(2,3)4/h4-5,8H,6-7H2,1-3H3;4-6H,7-8H2,1-3H3;4-6H,7H2,1-3H3;1-6H,7H2;1-6H;2*1-4H3
InChIKeyYYMQLMRDEFLVOT-UHFFFAOYSA-N
XLogP17.18
TPSA59.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500925.35
LogP ≤ 517.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-benzofuran;4-tert-butyl-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-2,3-dihydro-1-benzofuran;2H-chromene;bis(2,2-dimethylpropane) 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

4-tert-butyl-1,3-benzodioxole;5-tert-butyl-1,3-benzodioxole;7-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-2-fluoro-2-methyl-1,3-benzodioxole
CID 159156326
4-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-2,3-dihydro-1-benzofuran;ethane
CID 158682254
2H-chromene;ethane
CID 68570874
1-(2,3-dihydro-1-benzofuran-7-yl)-1-(4-methylphenyl)ethanamine
CID 114743817
2H-chromene;isochromen-1-one
CID 157183145
4-tert-butyl-1,3-benzodioxole;6-tert-butyl-4-methoxy-1,3-benzodioxole;6-tert-butyl-4-methyl-1,3-benzodioxole;7-tert-butyl-5-methyl-2,3-dihydro-1,4-benzodioxine
CID 157215467
2H-chromene;propane
CID 160650237
N-(1,3-benzodioxol-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine
CID 43732597
CID 87399656
CID 87399656
2H-chromene;methane;molybdenum;vanadium
CID 173308227
2H-chromene;copper;zirconium
CID 174745994
2H-chromene;iron;methane
CID 87751507

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran;4-tert-butyl-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-2,3-dihydro-1-benzofuran;2H-chromene;bis(2,2-dimethylpropane)?
The IUPAC name of 1-benzofuran;4-tert-butyl-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-2,3-dihydro-1-benzofuran;2H-chromene;bis(2,2-dimethylpropane) (CID 162050630) is 1-benzofuran;4-tert-butyl-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-2,3-dihydro-1-benzofuran;2H-chromene;bis(2,2-dimethylpropane).
What is the SMILES notation for 1-benzofuran;4-tert-butyl-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-2,3-dihydro-1-benzofuran;2H-chromene;bis(2,2-dimethylpropane)?
The canonical SMILES for 1-benzofuran;4-tert-butyl-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-2,3-dihydro-1-benzofuran;2H-chromene;bis(2,2-dimethylpropane) is C1=Cc2ccccc2OC1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1ccc2c(c1)CCO2.CC(C)(C)c1cccc2c1OCC2.CC(C)(C)c1cccc2c1OCO2.c1ccc2occc2c1.
What is the InChIKey of 1-benzofuran;4-tert-butyl-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-2,3-dihydro-1-benzofuran;2H-chromene;bis(2,2-dimethylpropane)?
The InChIKey is YYMQLMRDEFLVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H16O.C11H14O2.C9H8O.C8H6O.2C5H12/c1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)10-6-4-5-9-7-8-13-11(9)10;1-11(2,3)8-5-4-6-9-10(8)13-7-12-9;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-8-7(3-1)5-6-9-8;2*1-5(2,3)4/h4-5,8H,6-7H2,1-3H3;4-6H,7-8H2,1-3H3;4-6H,7H2,1-3H3;1-6H,7H2;1-6H;2*1-4H3.
What are the key properties of 1-benzofuran;4-tert-butyl-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-2,3-dihydro-1-benzofuran;2H-chromene;bis(2,2-dimethylpropane)?
1-benzofuran;4-tert-butyl-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-2,3-dihydro-1-benzofuran;2H-chromene;bis(2,2-dimethylpropane) has a molecular weight of 925.35 g/mol, XLogP of 17.18, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran;4-tert-butyl-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-2,3-dihydro-1-benzofuran;2H-chromene;bis(2,2-dimethylpropane) is sourced from PubChem (CID 162050630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).