2,2-dimethyl-7-prop-2-enoxy-3H-1-benzofuran

C13H16O2 — CID 54215280

IUPAC2,2-dimethyl-7-prop-2-enoxy-3H-1-benzofuran
SMILESC=CCOc1cccc2c1OC(C)(C)C2
InChIInChI=1S/C13H16O2/c1-4-8-14-11-7-5-6-10-9-13(2,3)15-12(10)11/h4-7H,1,8-9H2,2-3H3
InChIKeyPYSUGCSIOXNALD-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.96
Rot. Bonds3

About 2,2-dimethyl-7-prop-2-enoxy-3H-1-benzofuran

2,2-dimethyl-7-prop-2-enoxy-3H-1-benzofuran (PubChem CID 54215280) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2,2-dimethyl-7-prop-2-enoxy-3H-1-benzofuran.

Molecular Properties

Compound Name2,2-dimethyl-7-prop-2-enoxy-3H-1-benzofuran
PubChem CID54215280
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name2,2-dimethyl-7-prop-2-enoxy-3H-1-benzofuran
SMILESC=CCOc1cccc2c1OC(C)(C)C2
InChIInChI=1S/C13H16O2/c1-4-8-14-11-7-5-6-10-9-13(2,3)15-12(10)11/h4-7H,1,8-9H2,2-3H3
InChIKeyPYSUGCSIOXNALD-UHFFFAOYSA-N
XLogP2.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-7-propoxy-3H-1-benzofuran
CID 54001928
2,2-dimethyl-7-[[(2S)-oxiran-2-yl]methoxy]-3H-1-benzofuran
CID 30075050
7-(2,2-dimethoxyethoxy)-2,2-dimethyl-3H-1-benzofuran
CID 66222745
7-(3-azidopropoxy)-2,2-dimethyl-3H-1-benzofuran
CID 61397191
1-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]azetidine
CID 141352701
3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propane-1,2-diol
CID 82850589
4-chloro-3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]aniline
CID 43350132
2-amino-3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propan-1-ol
CID 64804801
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-methylbut-2-enoic acid
CID 77005442
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-1-(furan-2-yl)ethanone
CID 43412852
3-bromo-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]aniline
CID 60790561
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N,N-di(propan-2-yl)acetamide
CID 8551057

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-7-prop-2-enoxy-3H-1-benzofuran?
The IUPAC name of 2,2-dimethyl-7-prop-2-enoxy-3H-1-benzofuran (CID 54215280) is 2,2-dimethyl-7-prop-2-enoxy-3H-1-benzofuran.
What is the SMILES notation for 2,2-dimethyl-7-prop-2-enoxy-3H-1-benzofuran?
The canonical SMILES for 2,2-dimethyl-7-prop-2-enoxy-3H-1-benzofuran is C=CCOc1cccc2c1OC(C)(C)C2.
What is the InChIKey of 2,2-dimethyl-7-prop-2-enoxy-3H-1-benzofuran?
The InChIKey is PYSUGCSIOXNALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-4-8-14-11-7-5-6-10-9-13(2,3)15-12(10)11/h4-7H,1,8-9H2,2-3H3.
What are the key properties of 2,2-dimethyl-7-prop-2-enoxy-3H-1-benzofuran?
2,2-dimethyl-7-prop-2-enoxy-3H-1-benzofuran has a molecular weight of 204.27 g/mol, XLogP of 2.96, 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-prop-2-enoxy-3H-1-benzofuran is sourced from PubChem (CID 54215280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).