7-methyl-2-[(3-methylphenoxy)methyl]-1-benzofuran

C17H16O2 — CID 117186365

IUPAC7-methyl-2-[(3-methylphenoxy)methyl]-1-benzofuran
SMILESCc1cccc(OCc2cc3cccc(C)c3o2)c1
InChIInChI=1S/C17H16O2/c1-12-5-3-8-15(9-12)18-11-16-10-14-7-4-6-13(2)17(14)19-16/h3-10H,11H2,1-2H3
InChIKeyCFMWQCAMOVQDGX-UHFFFAOYSA-N
MW252.31 g/mol
LogP4.63
Rot. Bonds3

About 7-methyl-2-[(3-methylphenoxy)methyl]-1-benzofuran

7-methyl-2-[(3-methylphenoxy)methyl]-1-benzofuran (PubChem CID 117186365) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 7-methyl-2-[(3-methylphenoxy)methyl]-1-benzofuran.

Molecular Properties

Compound Name7-methyl-2-[(3-methylphenoxy)methyl]-1-benzofuran
PubChem CID117186365
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name7-methyl-2-[(3-methylphenoxy)methyl]-1-benzofuran
SMILESCc1cccc(OCc2cc3cccc(C)c3o2)c1
InChIInChI=1S/C17H16O2/c1-12-5-3-8-15(9-12)18-11-16-10-14-7-4-6-13(2)17(14)19-16/h3-10H,11H2,1-2H3
InChIKeyCFMWQCAMOVQDGX-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

2-[(4-methylphenoxy)methyl]-1-benzofuran-7-ol
CID 117182822
2-[(3-methylphenoxy)methyl]-1-benzofuran-5-amine
CID 117175925
5-chloro-2-[(3-methylphenoxy)methyl]-1-benzofuran
CID 117175928
1-methyl-2-[(3-methylphenoxy)methyl]benzene
CID 60627935
2-[(3-bromophenoxy)methyl]-1-benzofuran-7-ol
CID 117182804
2-methyl-5-[(3-methylphenoxy)methyl]-1,3-oxazole
CID 117192249
7-fluoro-2-(phenoxymethyl)-1-benzofuran
CID 117182764
2-(pyridin-3-yloxymethyl)-1-benzofuran-7-ol
CID 117182846
4-fluoro-2-[(3-methylphenoxy)methyl]-1-benzofuran
CID 117172308
2-methyl-5-[(3-methylphenoxy)methyl]furan-3-carboxylic acid
CID 43477174
2-[(3-methoxyphenoxy)methyl]-5-methyl-1-benzofuran
CID 117185258
7-bromo-2-[(2-methylphenoxy)methyl]-1-benzofuran
CID 117182771

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[(3-methylphenoxy)methyl]-1-benzofuran?
The IUPAC name of 7-methyl-2-[(3-methylphenoxy)methyl]-1-benzofuran (CID 117186365) is 7-methyl-2-[(3-methylphenoxy)methyl]-1-benzofuran.
What is the SMILES notation for 7-methyl-2-[(3-methylphenoxy)methyl]-1-benzofuran?
The canonical SMILES for 7-methyl-2-[(3-methylphenoxy)methyl]-1-benzofuran is Cc1cccc(OCc2cc3cccc(C)c3o2)c1.
What is the InChIKey of 7-methyl-2-[(3-methylphenoxy)methyl]-1-benzofuran?
The InChIKey is CFMWQCAMOVQDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c1-12-5-3-8-15(9-12)18-11-16-10-14-7-4-6-13(2)17(14)19-16/h3-10H,11H2,1-2H3.
What are the key properties of 7-methyl-2-[(3-methylphenoxy)methyl]-1-benzofuran?
7-methyl-2-[(3-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 7-methyl-2-[(3-methylphenoxy)methyl]-1-benzofuran is sourced from PubChem (CID 117186365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).