2,2-dimethyl-7-propoxy-3H-1-benzofuran

C13H18O2 — CID 54001928

IUPAC2,2-dimethyl-7-propoxy-3H-1-benzofuran
SMILESCCCOc1cccc2c1OC(C)(C)C2
InChIInChI=1S/C13H18O2/c1-4-8-14-11-7-5-6-10-9-13(2,3)15-12(10)11/h5-7H,4,8-9H2,1-3H3
InChIKeyYXTYXYSYDWFNNE-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.19
Rot. Bonds3

About 2,2-dimethyl-7-propoxy-3H-1-benzofuran

2,2-dimethyl-7-propoxy-3H-1-benzofuran (PubChem CID 54001928) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 2,2-dimethyl-7-propoxy-3H-1-benzofuran.

Molecular Properties

Compound Name2,2-dimethyl-7-propoxy-3H-1-benzofuran
PubChem CID54001928
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name2,2-dimethyl-7-propoxy-3H-1-benzofuran
SMILESCCCOc1cccc2c1OC(C)(C)C2
InChIInChI=1S/C13H18O2/c1-4-8-14-11-7-5-6-10-9-13(2,3)15-12(10)11/h5-7H,4,8-9H2,1-3H3
InChIKeyYXTYXYSYDWFNNE-UHFFFAOYSA-N
XLogP3.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]azetidine
CID 141352701
2,2-dimethyl-7-prop-2-enoxy-3H-1-benzofuran
CID 54215280
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-(propylamino)butan-1-ol
CID 64804749
7-(3-azidopropoxy)-2,2-dimethyl-3H-1-benzofuran
CID 61397191
6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-methylhexan-3-amine
CID 106800682
N-[3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propyl]cyclopropanamine
CID 29015499
N,N-dibutyl-3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propane-1-sulfonamide
CID 16884108
7-(2,2-dimethoxyethoxy)-2,2-dimethyl-3H-1-benzofuran
CID 66222745
2,2-dimethyl-7-[[(2S)-oxiran-2-yl]methoxy]-3H-1-benzofuran
CID 30075050
2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]cyclopentan-1-ol
CID 79563593
3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propane-1,2-diol
CID 82850589
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-5-ethyl-1,3,4-oxadiazole
CID 138998581

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-7-propoxy-3H-1-benzofuran?
The IUPAC name of 2,2-dimethyl-7-propoxy-3H-1-benzofuran (CID 54001928) is 2,2-dimethyl-7-propoxy-3H-1-benzofuran.
What is the SMILES notation for 2,2-dimethyl-7-propoxy-3H-1-benzofuran?
The canonical SMILES for 2,2-dimethyl-7-propoxy-3H-1-benzofuran is CCCOc1cccc2c1OC(C)(C)C2.
What is the InChIKey of 2,2-dimethyl-7-propoxy-3H-1-benzofuran?
The InChIKey is YXTYXYSYDWFNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-4-8-14-11-7-5-6-10-9-13(2,3)15-12(10)11/h5-7H,4,8-9H2,1-3H3.
What are the key properties of 2,2-dimethyl-7-propoxy-3H-1-benzofuran?
2,2-dimethyl-7-propoxy-3H-1-benzofuran has a molecular weight of 206.28 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-7-propoxy-3H-1-benzofuran is sourced from PubChem (CID 54001928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).