(2-methoxy-5-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methanone

C18H16O3 — CID 115957340

IUPAC(2-methoxy-5-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methanone
SMILESCOc1ccc(C)cc1C(=O)c1cc2cccc(C)c2o1
InChIInChI=1S/C18H16O3/c1-11-7-8-15(20-3)14(9-11)17(19)16-10-13-6-4-5-12(2)18(13)21-16/h4-10H,1-3H3
InChIKeyCGNPIQIYLDSDTA-UHFFFAOYSA-N
MW280.32 g/mol
LogP4.29
Rot. Bonds3

About (2-methoxy-5-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methanone

(2-methoxy-5-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methanone (PubChem CID 115957340) has the molecular formula C18H16O3 and a molecular weight of 280.32 g/mol. Its IUPAC name is (2-methoxy-5-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(2-methoxy-5-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methanone
PubChem CID115957340
Molecular FormulaC18H16O3
Molecular Weight280.32 g/mol
Exact Mass280.11
IUPAC Name(2-methoxy-5-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methanone
SMILESCOc1ccc(C)cc1C(=O)c1cc2cccc(C)c2o1
InChIInChI=1S/C18H16O3/c1-11-7-8-15(20-3)14(9-11)17(19)16-10-13-6-4-5-12(2)18(13)21-16/h4-10H,1-3H3
InChIKeyCGNPIQIYLDSDTA-UHFFFAOYSA-N
XLogP4.29
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxyphenyl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 54103779
(7-methyl-1-benzofuran-2-yl)-(2-methylphenyl)methanone
CID 112614517
(7-chloro-1-benzofuran-2-yl)-(5-chloro-2-methoxyphenyl)methanone
CID 115810745
(5-bromo-1-benzofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone
CID 29076010
(7-bromo-1-benzofuran-2-yl)-(5-fluoro-2-methoxyphenyl)methanone
CID 105125170
1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 14468440
(2-methoxy-5-methylphenyl)-(5-methylfuran-2-yl)methanone
CID 43626038
(4-chloro-1-benzofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone
CID 114321301
(4-iodophenyl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 115808386
(4-bromo-3,5-dimethylphenyl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 114726267
(7-methyl-1-benzofuran-2-yl)-(2,3,4-trifluorophenyl)methanone
CID 115808342
[4-(aminomethyl)phenyl]-(7-methyl-1-benzofuran-2-yl)methanone
CID 114736158

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-5-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methanone?
The IUPAC name of (2-methoxy-5-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methanone (CID 115957340) is (2-methoxy-5-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (2-methoxy-5-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for (2-methoxy-5-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methanone is COc1ccc(C)cc1C(=O)c1cc2cccc(C)c2o1.
What is the InChIKey of (2-methoxy-5-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methanone?
The InChIKey is CGNPIQIYLDSDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O3/c1-11-7-8-15(20-3)14(9-11)17(19)16-10-13-6-4-5-12(2)18(13)21-16/h4-10H,1-3H3.
What are the key properties of (2-methoxy-5-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methanone?
(2-methoxy-5-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methanone has a molecular weight of 280.32 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-5-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 115957340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).