2,5-ditert-butyl-2,3-dihydro-1-benzofuran

C16H24O — CID 58591214

IUPAC2,5-ditert-butyl-2,3-dihydro-1-benzofuran
SMILESCC(C)(C)c1ccc2c(c1)CC(C(C)(C)C)O2
InChIInChI=1S/C16H24O/c1-15(2,3)12-7-8-13-11(9-12)10-14(17-13)16(4,5)6/h7-9,14H,10H2,1-6H3
InChIKeyPETPEEXBUXDKBZ-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.33
Rot. Bonds

About 2,5-ditert-butyl-2,3-dihydro-1-benzofuran

2,5-ditert-butyl-2,3-dihydro-1-benzofuran (PubChem CID 58591214) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 2,5-ditert-butyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name2,5-ditert-butyl-2,3-dihydro-1-benzofuran
PubChem CID58591214
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name2,5-ditert-butyl-2,3-dihydro-1-benzofuran
SMILESCC(C)(C)c1ccc2c(c1)CC(C(C)(C)C)O2
InChIInChI=1S/C16H24O/c1-15(2,3)12-7-8-13-11(9-12)10-14(17-13)16(4,5)6/h7-9,14H,10H2,1-6H3
InChIKeyPETPEEXBUXDKBZ-UHFFFAOYSA-N
XLogP4.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

p-tert-Butylphenyl glycidyl ether
CID 18360
Triton X 100
CID 5590
Dihydrobenzofuran
CID 10329
Poly(oxy-1,2-ethanediyl), alpha-((1,1,3,3-tetramethylbutyl)phenyl)-omega-hydroxy-, potassium salt (1:1)
CID 24775
2-(4-Ethoxyphenyl)-2-methylpropanol
CID 158525
2,3-Dihydro-2-methylbenzofuran
CID 101130
1-Butanamine, 4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-
CID 104033
Oxirane, 2-((4-(1-methyl-1-phenylethyl)phenoxy)methyl)-
CID 62186
Benzene, 1-methoxy-4-methyl-2-(1-methylethyl)-
CID 161716
LG190178
CID 15521397
(2S)-3-{4-[1-ethyl-1-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)propyl]-2-methylphenoxy}propane-1,2-diol
CID 24936209
Nonoxynol-1
CID 92035818

Frequently Asked Questions

What is the IUPAC name of 2,5-ditert-butyl-2,3-dihydro-1-benzofuran?
The IUPAC name of 2,5-ditert-butyl-2,3-dihydro-1-benzofuran (CID 58591214) is 2,5-ditert-butyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 2,5-ditert-butyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for 2,5-ditert-butyl-2,3-dihydro-1-benzofuran is CC(C)(C)c1ccc2c(c1)CC(C(C)(C)C)O2.
What is the InChIKey of 2,5-ditert-butyl-2,3-dihydro-1-benzofuran?
The InChIKey is PETPEEXBUXDKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-15(2,3)12-7-8-13-11(9-12)10-14(17-13)16(4,5)6/h7-9,14H,10H2,1-6H3.
What are the key properties of 2,5-ditert-butyl-2,3-dihydro-1-benzofuran?
2,5-ditert-butyl-2,3-dihydro-1-benzofuran has a molecular weight of 232.37 g/mol, XLogP of 4.33, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-ditert-butyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 58591214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).