2-[(4-methoxyphenoxy)methyl]-6-methyl-1-benzofuran

C17H16O3 — CID 117185820

IUPAC2-[(4-methoxyphenoxy)methyl]-6-methyl-1-benzofuran
SMILESCOc1ccc(OCc2cc3ccc(C)cc3o2)cc1
InChIInChI=1S/C17H16O3/c1-12-3-4-13-10-16(20-17(13)9-12)11-19-15-7-5-14(18-2)6-8-15/h3-10H,11H2,1-2H3
InChIKeyJVEQSXMATPISSP-UHFFFAOYSA-N
MW268.31 g/mol
LogP4.33
Rot. Bonds4

About 2-[(4-methoxyphenoxy)methyl]-6-methyl-1-benzofuran

2-[(4-methoxyphenoxy)methyl]-6-methyl-1-benzofuran (PubChem CID 117185820) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-[(4-methoxyphenoxy)methyl]-6-methyl-1-benzofuran.

Molecular Properties

Compound Name2-[(4-methoxyphenoxy)methyl]-6-methyl-1-benzofuran
PubChem CID117185820
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name2-[(4-methoxyphenoxy)methyl]-6-methyl-1-benzofuran
SMILESCOc1ccc(OCc2cc3ccc(C)cc3o2)cc1
InChIInChI=1S/C17H16O3/c1-12-3-4-13-10-16(20-17(13)9-12)11-19-15-7-5-14(18-2)6-8-15/h3-10H,11H2,1-2H3
InChIKeyJVEQSXMATPISSP-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-[(4-methoxyphenoxy)methyl]-1-benzofuran-6-carboxylic acid
CID 117179469
2-[(3-methoxyphenoxy)methyl]-5-methyl-1-benzofuran
CID 117185258
6-methyl-2-[(2-methylphenoxy)methyl]-1-benzofuran
CID 117185801
2-[(4-chlorophenoxy)methyl]-1-benzofuran-6-ol
CID 117179375
6-chloro-2-[(4-fluorophenoxy)methyl]-1-benzofuran
CID 117179379
2-[(4-methylphenoxy)methyl]-1-benzofuran-7-ol
CID 117182822
6-chloro-2-(phenoxymethyl)-1-benzofuran
CID 117179310
N-[[5-[(4-methoxyphenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-2-amine
CID 62458167
2-(isocyanomethyl)-6-methoxy-1-benzofuran
CID 83483329
3-(6-methyl-1-benzofuran-2-yl)propan-1-amine
CID 82504582
2-(ethylsulfonylmethyl)-6-methyl-1-benzofuran
CID 117185797
2-[(3-methylphenoxy)methyl]-1-benzofuran-5-amine
CID 117175925

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenoxy)methyl]-6-methyl-1-benzofuran?
The IUPAC name of 2-[(4-methoxyphenoxy)methyl]-6-methyl-1-benzofuran (CID 117185820) is 2-[(4-methoxyphenoxy)methyl]-6-methyl-1-benzofuran.
What is the SMILES notation for 2-[(4-methoxyphenoxy)methyl]-6-methyl-1-benzofuran?
The canonical SMILES for 2-[(4-methoxyphenoxy)methyl]-6-methyl-1-benzofuran is COc1ccc(OCc2cc3ccc(C)cc3o2)cc1.
What is the InChIKey of 2-[(4-methoxyphenoxy)methyl]-6-methyl-1-benzofuran?
The InChIKey is JVEQSXMATPISSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-12-3-4-13-10-16(20-17(13)9-12)11-19-15-7-5-14(18-2)6-8-15/h3-10H,11H2,1-2H3.
What are the key properties of 2-[(4-methoxyphenoxy)methyl]-6-methyl-1-benzofuran?
2-[(4-methoxyphenoxy)methyl]-6-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-[(4-methoxyphenoxy)methyl]-6-methyl-1-benzofuran is sourced from PubChem (CID 117185820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).