4-methyl-2-[(2-methylphenoxy)methyl]-1-benzofuran

C17H16O2 — CID 117184698

IUPAC4-methyl-2-[(2-methylphenoxy)methyl]-1-benzofuran
SMILESCc1ccccc1OCc1cc2c(C)cccc2o1
InChIInChI=1S/C17H16O2/c1-12-7-5-9-17-15(12)10-14(19-17)11-18-16-8-4-3-6-13(16)2/h3-10H,11H2,1-2H3
InChIKeyPVYSWGHZVVKSAJ-UHFFFAOYSA-N
MW252.31 g/mol
LogP4.63
Rot. Bonds3

About 4-methyl-2-[(2-methylphenoxy)methyl]-1-benzofuran

4-methyl-2-[(2-methylphenoxy)methyl]-1-benzofuran (PubChem CID 117184698) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 4-methyl-2-[(2-methylphenoxy)methyl]-1-benzofuran.

Molecular Properties

Compound Name4-methyl-2-[(2-methylphenoxy)methyl]-1-benzofuran
PubChem CID117184698
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name4-methyl-2-[(2-methylphenoxy)methyl]-1-benzofuran
SMILESCc1ccccc1OCc1cc2c(C)cccc2o1
InChIInChI=1S/C17H16O2/c1-12-7-5-9-17-15(12)10-14(19-17)11-18-16-8-4-3-6-13(16)2/h3-10H,11H2,1-2H3
InChIKeyPVYSWGHZVVKSAJ-UHFFFAOYSA-N
XLogP4.63
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-2-[[2-(trifluoromethyl)phenoxy]methyl]-1-benzofuran
CID 117184696
2-[(4-fluorophenoxy)methyl]-4-methyl-1-benzofuran
CID 117184713
6-methyl-2-[(2-methylphenoxy)methyl]-1-benzofuran
CID 117185801
4-fluoro-2-[(2-methoxyphenoxy)methyl]-1-benzofuran
CID 117172297
7-bromo-2-[(2-methylphenoxy)methyl]-1-benzofuran
CID 117182771
N-methyl-1-[3-methyl-5-[(2-methylphenoxy)methyl]furan-2-yl]methanamine
CID 62452733
N-methyl-1-[2-methyl-5-[(2-methylphenoxy)methyl]furan-3-yl]methanamine
CID 62453604
N-[(4-methyl-1-benzofuran-2-yl)methyl]ethanamine
CID 117184721
2-methyl-N-[[3-methyl-5-[(2-methylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 62453088
5-[(2-methylphenoxy)methyl]furan-2-carboxylate
CID 7015943
2-methoxy-4-methyl-1-benzofuran
CID 23058022
[2-(phenoxymethyl)-1-benzofuran-4-yl]methanamine
CID 117172164

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2-methylphenoxy)methyl]-1-benzofuran?
The IUPAC name of 4-methyl-2-[(2-methylphenoxy)methyl]-1-benzofuran (CID 117184698) is 4-methyl-2-[(2-methylphenoxy)methyl]-1-benzofuran.
What is the SMILES notation for 4-methyl-2-[(2-methylphenoxy)methyl]-1-benzofuran?
The canonical SMILES for 4-methyl-2-[(2-methylphenoxy)methyl]-1-benzofuran is Cc1ccccc1OCc1cc2c(C)cccc2o1.
What is the InChIKey of 4-methyl-2-[(2-methylphenoxy)methyl]-1-benzofuran?
The InChIKey is PVYSWGHZVVKSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c1-12-7-5-9-17-15(12)10-14(19-17)11-18-16-8-4-3-6-13(16)2/h3-10H,11H2,1-2H3.
What are the key properties of 4-methyl-2-[(2-methylphenoxy)methyl]-1-benzofuran?
4-methyl-2-[(2-methylphenoxy)methyl]-1-benzofuran has a molecular weight of 252.31 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2-methylphenoxy)methyl]-1-benzofuran is sourced from PubChem (CID 117184698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).