2,2-dimethyl-4-propan-2-yl-3H-1-benzofuran

C13H18O — CID 123856255

IUPAC2,2-dimethyl-4-propan-2-yl-3H-1-benzofuran
SMILESCC(C)c1cccc2c1CC(C)(C)O2
InChIInChI=1S/C13H18O/c1-9(2)10-6-5-7-12-11(10)8-13(3,4)14-12/h5-7,9H,8H2,1-4H3
InChIKeyAPEHAWUKHSJGFO-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.52
Rot. Bonds1

About 2,2-dimethyl-4-propan-2-yl-3H-1-benzofuran

2,2-dimethyl-4-propan-2-yl-3H-1-benzofuran (PubChem CID 123856255) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 2,2-dimethyl-4-propan-2-yl-3H-1-benzofuran.

Molecular Properties

Compound Name2,2-dimethyl-4-propan-2-yl-3H-1-benzofuran
PubChem CID123856255
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name2,2-dimethyl-4-propan-2-yl-3H-1-benzofuran
SMILESCC(C)c1cccc2c1CC(C)(C)O2
InChIInChI=1S/C13H18O/c1-9(2)10-6-5-7-12-11(10)8-13(3,4)14-12/h5-7,9H,8H2,1-4H3
InChIKeyAPEHAWUKHSJGFO-UHFFFAOYSA-N
XLogP3.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-2-methyl-4-propan-2-yl-3H-1-benzofuran
CID 152618935
2,2-dimethyl-4-(2-methylpropoxy)-3H-1-benzofuran
CID 152551487
2,2-dimethyl-3H-1-benzofuran-4-carboxamide
CID 86668248
1-[1-(2,2-dimethyl-3H-1-benzofuran-4-yl)ethyl]-4-(3-fluoro-4-pyridinyl)piperazine
CID 174195545
2,2-dimethyl-4-methylsulfanyl-3H-1-benzofuran;ethane;propane;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173420094
2,2-dimethyl-5-[(2-propan-2-ylphenyl)methyl]-3H-1,4-benzodioxine
CID 175589492
1,8-di(propan-2-yl)-9H-fluorene
CID 160592533
(3R)-5-propan-2-yl-3,4-dihydro-2H-chromen-3-amine
CID 130607809
3,4,4-trimethyl-8-propan-2-yl-2,3-dihydro-1H-naphthalene
CID 144627105
azane;3-ethenyl-2,2-dimethyl-4,5-di(propan-2-yl)chromene
CID 175545455
5-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2,3-diol
CID 156687185
2-amino-1-(4-chloro-2,2-dimethyl-3H-1-benzofuran-5-yl)propan-1-one
CID 117097034

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-propan-2-yl-3H-1-benzofuran?
The IUPAC name of 2,2-dimethyl-4-propan-2-yl-3H-1-benzofuran (CID 123856255) is 2,2-dimethyl-4-propan-2-yl-3H-1-benzofuran.
What is the SMILES notation for 2,2-dimethyl-4-propan-2-yl-3H-1-benzofuran?
The canonical SMILES for 2,2-dimethyl-4-propan-2-yl-3H-1-benzofuran is CC(C)c1cccc2c1CC(C)(C)O2.
What is the InChIKey of 2,2-dimethyl-4-propan-2-yl-3H-1-benzofuran?
The InChIKey is APEHAWUKHSJGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-9(2)10-6-5-7-12-11(10)8-13(3,4)14-12/h5-7,9H,8H2,1-4H3.
What are the key properties of 2,2-dimethyl-4-propan-2-yl-3H-1-benzofuran?
2,2-dimethyl-4-propan-2-yl-3H-1-benzofuran has a molecular weight of 190.29 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-propan-2-yl-3H-1-benzofuran is sourced from PubChem (CID 123856255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).