(4-methoxyphenyl)-[2-(2,4,6-trimethylphenyl)-1-benzofuran-6-yl]methanone

C25H22O3 — CID 3056056

IUPAC(4-methoxyphenyl)-[2-(2,4,6-trimethylphenyl)-1-benzofuran-6-yl]methanone
SMILESCOc1ccc(C(=O)c2ccc3cc(-c4c(C)cc(C)cc4C)oc3c2)cc1
InChIInChI=1S/C25H22O3/c1-15-11-16(2)24(17(3)12-15)23-13-19-5-6-20(14-22(19)28-23)25(26)18-7-9-21(27-4)10-8-18/h5-14H,1-4H3
InChIKeyYPRCKYBLWFWPQP-UHFFFAOYSA-N
MW370.45 g/mol
LogP6.26
Rot. Bonds4

About (4-methoxyphenyl)-[2-(2,4,6-trimethylphenyl)-1-benzofuran-6-yl]methanone

(4-methoxyphenyl)-[2-(2,4,6-trimethylphenyl)-1-benzofuran-6-yl]methanone (PubChem CID 3056056) has the molecular formula C25H22O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is (4-methoxyphenyl)-[2-(2,4,6-trimethylphenyl)-1-benzofuran-6-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[2-(2,4,6-trimethylphenyl)-1-benzofuran-6-yl]methanone
PubChem CID3056056
Molecular FormulaC25H22O3
Molecular Weight370.45 g/mol
Exact Mass370.16
IUPAC Name(4-methoxyphenyl)-[2-(2,4,6-trimethylphenyl)-1-benzofuran-6-yl]methanone
SMILESCOc1ccc(C(=O)c2ccc3cc(-c4c(C)cc(C)cc4C)oc3c2)cc1
InChIInChI=1S/C25H22O3/c1-15-11-16(2)24(17(3)12-15)23-13-19-5-6-20(14-22(19)28-23)25(26)18-7-9-21(27-4)10-8-18/h5-14H,1-4H3
InChIKeyYPRCKYBLWFWPQP-UHFFFAOYSA-N
XLogP6.26
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.45
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[2-(2,4,6-trimethylphenyl)-1-benzofuran-6-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[2-(2,4,6-trimethylphenyl)-1-benzofuran-6-yl]methanone (CID 3056056) is (4-methoxyphenyl)-[2-(2,4,6-trimethylphenyl)-1-benzofuran-6-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[2-(2,4,6-trimethylphenyl)-1-benzofuran-6-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[2-(2,4,6-trimethylphenyl)-1-benzofuran-6-yl]methanone is COc1ccc(C(=O)c2ccc3cc(-c4c(C)cc(C)cc4C)oc3c2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[2-(2,4,6-trimethylphenyl)-1-benzofuran-6-yl]methanone?
The InChIKey is YPRCKYBLWFWPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22O3/c1-15-11-16(2)24(17(3)12-15)23-13-19-5-6-20(14-22(19)28-23)25(26)18-7-9-21(27-4)10-8-18/h5-14H,1-4H3.
What are the key properties of (4-methoxyphenyl)-[2-(2,4,6-trimethylphenyl)-1-benzofuran-6-yl]methanone?
(4-methoxyphenyl)-[2-(2,4,6-trimethylphenyl)-1-benzofuran-6-yl]methanone has a molecular weight of 370.45 g/mol, XLogP of 6.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[2-(2,4,6-trimethylphenyl)-1-benzofuran-6-yl]methanone is sourced from PubChem (CID 3056056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).