2-[(3-methoxyphenoxy)methyl]-5-methyl-1-benzofuran

C17H16O3 — CID 117185258

IUPAC2-[(3-methoxyphenoxy)methyl]-5-methyl-1-benzofuran
SMILESCOc1cccc(OCc2cc3cc(C)ccc3o2)c1
InChIInChI=1S/C17H16O3/c1-12-6-7-17-13(8-12)9-16(20-17)11-19-15-5-3-4-14(10-15)18-2/h3-10H,11H2,1-2H3
InChIKeyMIEMVCNSKRZHGN-UHFFFAOYSA-N
MW268.31 g/mol
LogP4.33
Rot. Bonds4

About 2-[(3-methoxyphenoxy)methyl]-5-methyl-1-benzofuran

2-[(3-methoxyphenoxy)methyl]-5-methyl-1-benzofuran (PubChem CID 117185258) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-[(3-methoxyphenoxy)methyl]-5-methyl-1-benzofuran.

Molecular Properties

Compound Name2-[(3-methoxyphenoxy)methyl]-5-methyl-1-benzofuran
PubChem CID117185258
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name2-[(3-methoxyphenoxy)methyl]-5-methyl-1-benzofuran
SMILESCOc1cccc(OCc2cc3cc(C)ccc3o2)c1
InChIInChI=1S/C17H16O3/c1-12-6-7-17-13(8-12)9-16(20-17)11-19-15-5-3-4-14(10-15)18-2/h3-10H,11H2,1-2H3
InChIKeyMIEMVCNSKRZHGN-UHFFFAOYSA-N
XLogP4.33
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-methylphenoxy)methyl]-1-benzofuran-5-amine
CID 117175925
5-chloro-2-[(3-methylphenoxy)methyl]-1-benzofuran
CID 117175928
2-[(4-methoxyphenoxy)methyl]-6-methyl-1-benzofuran
CID 117185820
[2-[(3-methoxyphenoxy)methyl]-1-benzofuran-4-yl]methanamine
CID 117172174
(5-methyl-1-benzofuran-2-yl)methanethiol
CID 117185273
7-methyl-2-[(3-methylphenoxy)methyl]-1-benzofuran
CID 117186365
2-[1-bromo-2-(3-methoxyphenyl)ethyl]-5-methyl-1-benzofuran
CID 63543642
4-fluoro-2-[(3-methylphenoxy)methyl]-1-benzofuran
CID 117172308
5-[(3-methoxyphenoxy)methyl]furan-2-carbaldehyde
CID 97035067
6-methyl-2-[(2-methylphenoxy)methyl]-1-benzofuran
CID 117185801
2-[(4-methylphenoxy)methyl]-1-benzofuran-7-ol
CID 117182822
5-[(3-methoxyphenoxy)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 3159105

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenoxy)methyl]-5-methyl-1-benzofuran?
The IUPAC name of 2-[(3-methoxyphenoxy)methyl]-5-methyl-1-benzofuran (CID 117185258) is 2-[(3-methoxyphenoxy)methyl]-5-methyl-1-benzofuran.
What is the SMILES notation for 2-[(3-methoxyphenoxy)methyl]-5-methyl-1-benzofuran?
The canonical SMILES for 2-[(3-methoxyphenoxy)methyl]-5-methyl-1-benzofuran is COc1cccc(OCc2cc3cc(C)ccc3o2)c1.
What is the InChIKey of 2-[(3-methoxyphenoxy)methyl]-5-methyl-1-benzofuran?
The InChIKey is MIEMVCNSKRZHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-12-6-7-17-13(8-12)9-16(20-17)11-19-15-5-3-4-14(10-15)18-2/h3-10H,11H2,1-2H3.
What are the key properties of 2-[(3-methoxyphenoxy)methyl]-5-methyl-1-benzofuran?
2-[(3-methoxyphenoxy)methyl]-5-methyl-1-benzofuran has a molecular weight of 268.31 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenoxy)methyl]-5-methyl-1-benzofuran is sourced from PubChem (CID 117185258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).