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

C18H16O3 — CID 105084721

IUPAC(4-methoxy-2-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanone
SMILESCOc1ccc(C(=O)c2cc3cc(C)ccc3o2)c(C)c1
InChIInChI=1S/C18H16O3/c1-11-4-7-16-13(8-11)10-17(21-16)18(19)15-6-5-14(20-3)9-12(15)2/h4-10H,1-3H3
InChIKeyMOGWEOGQAXREOM-UHFFFAOYSA-N
MW280.32 g/mol
LogP4.29
Rot. Bonds3

About (4-methoxy-2-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanone

(4-methoxy-2-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanone (PubChem CID 105084721) has the molecular formula C18H16O3 and a molecular weight of 280.32 g/mol. Its IUPAC name is (4-methoxy-2-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(4-methoxy-2-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanone
PubChem CID105084721
Molecular FormulaC18H16O3
Molecular Weight280.32 g/mol
Exact Mass280.11
IUPAC Name(4-methoxy-2-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanone
SMILESCOc1ccc(C(=O)c2cc3cc(C)ccc3o2)c(C)c1
InChIInChI=1S/C18H16O3/c1-11-4-7-16-13(8-11)10-17(21-16)18(19)15-6-5-14(20-3)9-12(15)2/h4-10H,1-3H3
InChIKeyMOGWEOGQAXREOM-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

(2-fluoro-4-methoxyphenyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 114725880
(4-chlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanone
CID 2797594
methyl 2-(4-methoxybenzoyl)-1-benzofuran-5-carboxylate
CID 170871861
(3,4-dichlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanone
CID 2797612
(4-methoxyphenyl)-(5-nitro-1-benzofuran-2-yl)methanone
CID 2728228
(5-bromo-1-benzofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone
CID 29076010
methyl 3-(5-methyl-1-benzofuran-2-carbonyl)azulene-1-carboxylate
CID 10882473
(2-bromo-4-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 115808106
(2-chlorofuran-3-yl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 106691307
(2,3-dichlorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 115807979
1-(5-methyl-1-benzofuran-2-yl)ethanone
CID 15549614
(4-methoxyphenyl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 54103779

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-2-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanone?
The IUPAC name of (4-methoxy-2-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanone (CID 105084721) is (4-methoxy-2-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (4-methoxy-2-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for (4-methoxy-2-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanone is COc1ccc(C(=O)c2cc3cc(C)ccc3o2)c(C)c1.
What is the InChIKey of (4-methoxy-2-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanone?
The InChIKey is MOGWEOGQAXREOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O3/c1-11-4-7-16-13(8-11)10-17(21-16)18(19)15-6-5-14(20-3)9-12(15)2/h4-10H,1-3H3.
What are the key properties of (4-methoxy-2-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanone?
(4-methoxy-2-methylphenyl)-(5-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 (4-methoxy-2-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 105084721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).