(4-methoxyphenyl)-(2-methyl-1-benzofuran-3-yl)methanone

C17H14O3 — CID 11043703

IUPAC(4-methoxyphenyl)-(2-methyl-1-benzofuran-3-yl)methanone
SMILESCOc1ccc(C(=O)c2c(C)oc3ccccc23)cc1
InChIInChI=1S/C17H14O3/c1-11-16(14-5-3-4-6-15(14)20-11)17(18)12-7-9-13(19-2)10-8-12/h3-10H,1-2H3
InChIKeyYHTKTSKKNRXRKB-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.98
Rot. Bonds3

About (4-methoxyphenyl)-(2-methyl-1-benzofuran-3-yl)methanone

(4-methoxyphenyl)-(2-methyl-1-benzofuran-3-yl)methanone (PubChem CID 11043703) has the molecular formula C17H14O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is (4-methoxyphenyl)-(2-methyl-1-benzofuran-3-yl)methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-(2-methyl-1-benzofuran-3-yl)methanone
PubChem CID11043703
Molecular FormulaC17H14O3
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Name(4-methoxyphenyl)-(2-methyl-1-benzofuran-3-yl)methanone
SMILESCOc1ccc(C(=O)c2c(C)oc3ccccc23)cc1
InChIInChI=1S/C17H14O3/c1-11-16(14-5-3-4-6-15(14)20-11)17(18)12-7-9-13(19-2)10-8-12/h3-10H,1-2H3
InChIKeyYHTKTSKKNRXRKB-UHFFFAOYSA-N
XLogP3.98
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(2-methyl-1-benzofuran-3-yl)methanone?
The IUPAC name of (4-methoxyphenyl)-(2-methyl-1-benzofuran-3-yl)methanone (CID 11043703) is (4-methoxyphenyl)-(2-methyl-1-benzofuran-3-yl)methanone.
What is the SMILES notation for (4-methoxyphenyl)-(2-methyl-1-benzofuran-3-yl)methanone?
The canonical SMILES for (4-methoxyphenyl)-(2-methyl-1-benzofuran-3-yl)methanone is COc1ccc(C(=O)c2c(C)oc3ccccc23)cc1.
What is the InChIKey of (4-methoxyphenyl)-(2-methyl-1-benzofuran-3-yl)methanone?
The InChIKey is YHTKTSKKNRXRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O3/c1-11-16(14-5-3-4-6-15(14)20-11)17(18)12-7-9-13(19-2)10-8-12/h3-10H,1-2H3.
What are the key properties of (4-methoxyphenyl)-(2-methyl-1-benzofuran-3-yl)methanone?
(4-methoxyphenyl)-(2-methyl-1-benzofuran-3-yl)methanone has a molecular weight of 266.30 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(2-methyl-1-benzofuran-3-yl)methanone is sourced from PubChem (CID 11043703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).