3-(3-methoxyphenyl)-2-(4-methoxyphenyl)-4,6-dimethyl-1-benzofuran

C24H22O3 — CID 134310060

IUPAC3-(3-methoxyphenyl)-2-(4-methoxyphenyl)-4,6-dimethyl-1-benzofuran
SMILESCOc1ccc(-c2oc3cc(C)cc(C)c3c2-c2cccc(OC)c2)cc1
InChIInChI=1S/C24H22O3/c1-15-12-16(2)22-21(13-15)27-24(17-8-10-19(25-3)11-9-17)23(22)18-6-5-7-20(14-18)26-4/h5-14H,1-4H3
InChIKeyPYXCOQVMRGCSAV-UHFFFAOYSA-N
MW358.44 g/mol
LogP6.40
Rot. Bonds4

About 3-(3-methoxyphenyl)-2-(4-methoxyphenyl)-4,6-dimethyl-1-benzofuran

3-(3-methoxyphenyl)-2-(4-methoxyphenyl)-4,6-dimethyl-1-benzofuran (PubChem CID 134310060) has the molecular formula C24H22O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-2-(4-methoxyphenyl)-4,6-dimethyl-1-benzofuran.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-2-(4-methoxyphenyl)-4,6-dimethyl-1-benzofuran
PubChem CID134310060
Molecular FormulaC24H22O3
Molecular Weight358.44 g/mol
Exact Mass358.16
IUPAC Name3-(3-methoxyphenyl)-2-(4-methoxyphenyl)-4,6-dimethyl-1-benzofuran
SMILESCOc1ccc(-c2oc3cc(C)cc(C)c3c2-c2cccc(OC)c2)cc1
InChIInChI=1S/C24H22O3/c1-15-12-16(2)22-21(13-15)27-24(17-8-10-19(25-3)11-9-17)23(22)18-6-5-7-20(14-18)26-4/h5-14H,1-4H3
InChIKeyPYXCOQVMRGCSAV-UHFFFAOYSA-N
XLogP6.40
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-2-(4-methoxyphenyl)-4,6-dimethyl-1-benzofuran?
The IUPAC name of 3-(3-methoxyphenyl)-2-(4-methoxyphenyl)-4,6-dimethyl-1-benzofuran (CID 134310060) is 3-(3-methoxyphenyl)-2-(4-methoxyphenyl)-4,6-dimethyl-1-benzofuran.
What is the SMILES notation for 3-(3-methoxyphenyl)-2-(4-methoxyphenyl)-4,6-dimethyl-1-benzofuran?
The canonical SMILES for 3-(3-methoxyphenyl)-2-(4-methoxyphenyl)-4,6-dimethyl-1-benzofuran is COc1ccc(-c2oc3cc(C)cc(C)c3c2-c2cccc(OC)c2)cc1.
What is the InChIKey of 3-(3-methoxyphenyl)-2-(4-methoxyphenyl)-4,6-dimethyl-1-benzofuran?
The InChIKey is PYXCOQVMRGCSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O3/c1-15-12-16(2)22-21(13-15)27-24(17-8-10-19(25-3)11-9-17)23(22)18-6-5-7-20(14-18)26-4/h5-14H,1-4H3.
What are the key properties of 3-(3-methoxyphenyl)-2-(4-methoxyphenyl)-4,6-dimethyl-1-benzofuran?
3-(3-methoxyphenyl)-2-(4-methoxyphenyl)-4,6-dimethyl-1-benzofuran has a molecular weight of 358.44 g/mol, XLogP of 6.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-2-(4-methoxyphenyl)-4,6-dimethyl-1-benzofuran is sourced from PubChem (CID 134310060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).