2-(2,2-dimethylpropyl)-7-methoxy-1-benzofuran

C14H18O2 — CID 19075968

IUPAC2-(2,2-dimethylpropyl)-7-methoxy-1-benzofuran
SMILESCOc1cccc2cc(CC(C)(C)C)oc12
InChIInChI=1S/C14H18O2/c1-14(2,3)9-11-8-10-6-5-7-12(15-4)13(10)16-11/h5-8H,9H2,1-4H3
InChIKeyPNPLIFPGAOQEAB-UHFFFAOYSA-N
MW218.30 g/mol
LogP4.03
Rot. Bonds2

About 2-(2,2-dimethylpropyl)-7-methoxy-1-benzofuran

2-(2,2-dimethylpropyl)-7-methoxy-1-benzofuran (PubChem CID 19075968) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-7-methoxy-1-benzofuran.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-7-methoxy-1-benzofuran
PubChem CID19075968
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name2-(2,2-dimethylpropyl)-7-methoxy-1-benzofuran
SMILESCOc1cccc2cc(CC(C)(C)C)oc12
InChIInChI=1S/C14H18O2/c1-14(2,3)9-11-8-10-6-5-7-12(15-4)13(10)16-11/h5-8H,9H2,1-4H3
InChIKeyPNPLIFPGAOQEAB-UHFFFAOYSA-N
XLogP4.03
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-iodo-7-methoxy-1-benzofuran
CID 147263066
2-(7-methoxy-1-benzofuran-2-yl)ethanamine
CID 66592603
N-methoxy-1-(7-methoxy-1-benzofuran-2-yl)methanamine
CID 82707164
2-(7-methoxy-1-benzofuran-2-yl)-N-methylethanamine
CID 70557286
4-methoxy-N-[(7-methoxy-1-benzofuran-2-yl)methyl]aniline
CID 43765976
N-[2-(7-methoxy-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 70555736
N'-[(7-methoxy-1-benzofuran-2-yl)methyl]ethane-1,2-diamine
CID 19886076
1-[(7-methoxy-1-benzofuran-2-yl)methylamino]-3-methylbutan-2-ol
CID 115630665
5-fluoro-N-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-methylaniline
CID 43764085
2,5-dichloro-N-[(7-methoxy-1-benzofuran-2-yl)methyl]aniline
CID 43757157
5-chloro-2-fluoro-N-[(7-methoxy-1-benzofuran-2-yl)methyl]aniline
CID 43775971
methyl 2-[(7-methoxy-1-benzofuran-2-yl)methylamino]acetate
CID 43756848

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-7-methoxy-1-benzofuran?
The IUPAC name of 2-(2,2-dimethylpropyl)-7-methoxy-1-benzofuran (CID 19075968) is 2-(2,2-dimethylpropyl)-7-methoxy-1-benzofuran.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-7-methoxy-1-benzofuran?
The canonical SMILES for 2-(2,2-dimethylpropyl)-7-methoxy-1-benzofuran is COc1cccc2cc(CC(C)(C)C)oc12.
What is the InChIKey of 2-(2,2-dimethylpropyl)-7-methoxy-1-benzofuran?
The InChIKey is PNPLIFPGAOQEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-14(2,3)9-11-8-10-6-5-7-12(15-4)13(10)16-11/h5-8H,9H2,1-4H3.
What are the key properties of 2-(2,2-dimethylpropyl)-7-methoxy-1-benzofuran?
2-(2,2-dimethylpropyl)-7-methoxy-1-benzofuran has a molecular weight of 218.30 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-7-methoxy-1-benzofuran is sourced from PubChem (CID 19075968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).