ethane;4-methoxy-3-methyl-1-benzofuran

C12H16O2 — CID 142181981

IUPACethane;4-methoxy-3-methyl-1-benzofuran
SMILESCC.COc1cccc2occ(C)c12
InChIInChI=1S/C10H10O2.C2H6/c1-7-6-12-9-5-3-4-8(11-2)10(7)9;1-2/h3-6H,1-2H3;1-2H3
InChIKeyOXFRWMMIKVEOPC-UHFFFAOYSA-N
MW192.26 g/mol
LogP3.78
Rot. Bonds1

About ethane;4-methoxy-3-methyl-1-benzofuran

ethane;4-methoxy-3-methyl-1-benzofuran (PubChem CID 142181981) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is ethane;4-methoxy-3-methyl-1-benzofuran.

Molecular Properties

Compound Nameethane;4-methoxy-3-methyl-1-benzofuran
PubChem CID142181981
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Nameethane;4-methoxy-3-methyl-1-benzofuran
SMILESCC.COc1cccc2occ(C)c12
InChIInChI=1S/C10H10O2.C2H6/c1-7-6-12-9-5-3-4-8(11-2)10(7)9;1-2/h3-6H,1-2H3;1-2H3
InChIKeyOXFRWMMIKVEOPC-UHFFFAOYSA-N
XLogP3.78
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methoxy-3-methyl-1-benzofuran?
The IUPAC name of ethane;4-methoxy-3-methyl-1-benzofuran (CID 142181981) is ethane;4-methoxy-3-methyl-1-benzofuran.
What is the SMILES notation for ethane;4-methoxy-3-methyl-1-benzofuran?
The canonical SMILES for ethane;4-methoxy-3-methyl-1-benzofuran is CC.COc1cccc2occ(C)c12.
What is the InChIKey of ethane;4-methoxy-3-methyl-1-benzofuran?
The InChIKey is OXFRWMMIKVEOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2.C2H6/c1-7-6-12-9-5-3-4-8(11-2)10(7)9;1-2/h3-6H,1-2H3;1-2H3.
What are the key properties of ethane;4-methoxy-3-methyl-1-benzofuran?
ethane;4-methoxy-3-methyl-1-benzofuran has a molecular weight of 192.26 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methoxy-3-methyl-1-benzofuran is sourced from PubChem (CID 142181981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).