4-tert-butyl-5-methyl-2,3-dihydro-1-benzofuran

C13H18O — CID 159534872

IUPAC4-tert-butyl-5-methyl-2,3-dihydro-1-benzofuran
SMILESCc1ccc2c(c1C(C)(C)C)CCO2
InChIInChI=1S/C13H18O/c1-9-5-6-11-10(7-8-14-11)12(9)13(2,3)4/h5-6H,7-8H2,1-4H3
InChIKeyXHYCMJFHYNVIRB-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.23
Rot. Bonds

About 4-tert-butyl-5-methyl-2,3-dihydro-1-benzofuran

4-tert-butyl-5-methyl-2,3-dihydro-1-benzofuran (PubChem CID 159534872) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 4-tert-butyl-5-methyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name4-tert-butyl-5-methyl-2,3-dihydro-1-benzofuran
PubChem CID159534872
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name4-tert-butyl-5-methyl-2,3-dihydro-1-benzofuran
SMILESCc1ccc2c(c1C(C)(C)C)CCO2
InChIInChI=1S/C13H18O/c1-9-5-6-11-10(7-8-14-11)12(9)13(2,3)4/h5-6H,7-8H2,1-4H3
InChIKeyXHYCMJFHYNVIRB-UHFFFAOYSA-N
XLogP3.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-5-methyl-2,3-dihydro-1-benzofuran
CID 89474128
4-butan-2-yl-5-methyl-2,3-dihydro-1-benzofuran
CID 88975705
2-(5-methyl-2,3-dihydro-1-benzofuran-4-yl)propan-1-ol
CID 117283160
6,7-dimethyl-2,3,4,5-tetrahydro-1-benzoxepine;methane
CID 143804420
(E)-3-(5-methyl-2,3-dihydro-1-benzofuran-4-yl)prop-2-en-1-amine
CID 117281496
2-methyl-2-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-ol
CID 117318443
1-[1-(5-methyl-2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]ethanamine
CID 117309972
5-chloro-6-methyl-3,4-dihydro-2H-chromene;propane
CID 143804461
4-tert-butyl-7-methyl-2,3-dihydrofuro[3,2-c]pyridine
CID 91113567
4,6-dimethyl-2,3-dihydro-1-benzofuran
CID 23113841
4-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-2,3-dihydro-1-benzofuran;ethane
CID 158682254
3-(4-fluoro-2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropanoic acid
CID 117348785

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-methyl-2,3-dihydro-1-benzofuran?
The IUPAC name of 4-tert-butyl-5-methyl-2,3-dihydro-1-benzofuran (CID 159534872) is 4-tert-butyl-5-methyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 4-tert-butyl-5-methyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for 4-tert-butyl-5-methyl-2,3-dihydro-1-benzofuran is Cc1ccc2c(c1C(C)(C)C)CCO2.
What is the InChIKey of 4-tert-butyl-5-methyl-2,3-dihydro-1-benzofuran?
The InChIKey is XHYCMJFHYNVIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-9-5-6-11-10(7-8-14-11)12(9)13(2,3)4/h5-6H,7-8H2,1-4H3.
What are the key properties of 4-tert-butyl-5-methyl-2,3-dihydro-1-benzofuran?
4-tert-butyl-5-methyl-2,3-dihydro-1-benzofuran has a molecular weight of 190.29 g/mol, XLogP of 3.23, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-methyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 159534872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).