2,2-dimethyl-4-(2-methylpropoxy)-3H-1-benzofuran

C14H20O2 — CID 152551487

IUPAC2,2-dimethyl-4-(2-methylpropoxy)-3H-1-benzofuran
SMILESCC(C)COc1cccc2c1CC(C)(C)O2
InChIInChI=1S/C14H20O2/c1-10(2)9-15-12-6-5-7-13-11(12)8-14(3,4)16-13/h5-7,10H,8-9H2,1-4H3
InChIKeyYNORYJZGHQZRRD-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.43
Rot. Bonds3

About 2,2-dimethyl-4-(2-methylpropoxy)-3H-1-benzofuran

2,2-dimethyl-4-(2-methylpropoxy)-3H-1-benzofuran (PubChem CID 152551487) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2,2-dimethyl-4-(2-methylpropoxy)-3H-1-benzofuran.

Molecular Properties

Compound Name2,2-dimethyl-4-(2-methylpropoxy)-3H-1-benzofuran
PubChem CID152551487
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name2,2-dimethyl-4-(2-methylpropoxy)-3H-1-benzofuran
SMILESCC(C)COc1cccc2c1CC(C)(C)O2
InChIInChI=1S/C14H20O2/c1-10(2)9-15-12-6-5-7-13-11(12)8-14(3,4)16-13/h5-7,10H,8-9H2,1-4H3
InChIKeyYNORYJZGHQZRRD-UHFFFAOYSA-N
XLogP3.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-4-propan-2-yl-3H-1-benzofuran
CID 123856255
4-(3-hydroxy-2-methylpropoxy)-2,2-dimethyl-3H-1-benzofuran-6-carboxylic acid
CID 67482631
7-(2,2-dimethoxyethoxy)-2,2-dimethyl-3H-1-benzofuran
CID 66222745
1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-[di(propan-2-yl)amino]propan-2-ol
CID 101171640
2,2-dimethyl-3H-1-benzofuran-4-carboxamide
CID 86668248
2,2-dimethyl-4-methylsulfanyl-3H-1-benzofuran;ethane;propane;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173420094
3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propane-1,2-diol
CID 82850589
N-cyclopentyl-2-(2-methylpropoxy)aniline
CID 54864910
N-(3,3-dimethylcyclopentyl)-2-(2-methylpropoxy)aniline
CID 80706319
2-amino-3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propan-1-ol
CID 64804801
(NE)-N-[5-(2-methylpropoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 65455967
1-(2-methylpropoxy)-2-propan-2-ylbenzene
CID 58901647

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(2-methylpropoxy)-3H-1-benzofuran?
The IUPAC name of 2,2-dimethyl-4-(2-methylpropoxy)-3H-1-benzofuran (CID 152551487) is 2,2-dimethyl-4-(2-methylpropoxy)-3H-1-benzofuran.
What is the SMILES notation for 2,2-dimethyl-4-(2-methylpropoxy)-3H-1-benzofuran?
The canonical SMILES for 2,2-dimethyl-4-(2-methylpropoxy)-3H-1-benzofuran is CC(C)COc1cccc2c1CC(C)(C)O2.
What is the InChIKey of 2,2-dimethyl-4-(2-methylpropoxy)-3H-1-benzofuran?
The InChIKey is YNORYJZGHQZRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-10(2)9-15-12-6-5-7-13-11(12)8-14(3,4)16-13/h5-7,10H,8-9H2,1-4H3.
What are the key properties of 2,2-dimethyl-4-(2-methylpropoxy)-3H-1-benzofuran?
2,2-dimethyl-4-(2-methylpropoxy)-3H-1-benzofuran has a molecular weight of 220.31 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(2-methylpropoxy)-3H-1-benzofuran is sourced from PubChem (CID 152551487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).