3-(3-methoxyphenyl)-2-(4-methylphenyl)-1-benzofuran

C22H18O2 — CID 135057387

IUPAC3-(3-methoxyphenyl)-2-(4-methylphenyl)-1-benzofuran
SMILESCOc1cccc(-c2c(-c3ccc(C)cc3)oc3ccccc23)c1
InChIInChI=1S/C22H18O2/c1-15-10-12-16(13-11-15)22-21(17-6-5-7-18(14-17)23-2)19-8-3-4-9-20(19)24-22/h3-14H,1-2H3
InChIKeyMCCPBDPAXFHLKY-UHFFFAOYSA-N
MW314.38 g/mol
LogP6.08
Rot. Bonds3

About 3-(3-methoxyphenyl)-2-(4-methylphenyl)-1-benzofuran

3-(3-methoxyphenyl)-2-(4-methylphenyl)-1-benzofuran (PubChem CID 135057387) has the molecular formula C22H18O2 and a molecular weight of 314.38 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-2-(4-methylphenyl)-1-benzofuran.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-2-(4-methylphenyl)-1-benzofuran
PubChem CID135057387
Molecular FormulaC22H18O2
Molecular Weight314.38 g/mol
Exact Mass314.13
IUPAC Name3-(3-methoxyphenyl)-2-(4-methylphenyl)-1-benzofuran
SMILESCOc1cccc(-c2c(-c3ccc(C)cc3)oc3ccccc23)c1
InChIInChI=1S/C22H18O2/c1-15-10-12-16(13-11-15)22-21(17-6-5-7-18(14-17)23-2)19-8-3-4-9-20(19)24-22/h3-14H,1-2H3
InChIKeyMCCPBDPAXFHLKY-UHFFFAOYSA-N
XLogP6.08
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.38
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1-benzofuran
CID 71608239
3-(3-methoxyphenyl)-2-(4-methoxyphenyl)-4,6-dimethyl-1-benzofuran
CID 134310060
3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-methyl-1-benzofuran
CID 141261100
6,11-bis(4-methylphenyl)indeno[1,2-c]chromene
CID 71490854
(3-methoxyphenyl)-(2-phenyl-1-benzofuran-3-yl)methanone
CID 21435338
3-methoxy-2-(4-methylphenyl)chromen-4-one
CID 139049420
4-(3-methoxyphenyl)chromen-2-one
CID 10538749
3-(4-methoxyphenyl)-4-(4-methylphenyl)isochromen-1-one
CID 122367134
2-(4-methoxyphenyl)-1-benzofuran-3-amine
CID 102535586
2-(3-methoxyphenyl)-1,3,5-trimethylbenzene
CID 66916575
4-[2-(4-methylphenyl)-1-benzofuran-3-yl]-5-phenyl-2H-triazole
CID 138393037
2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-phenyl-1-benzofuran
CID 121336223

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-2-(4-methylphenyl)-1-benzofuran?
The IUPAC name of 3-(3-methoxyphenyl)-2-(4-methylphenyl)-1-benzofuran (CID 135057387) is 3-(3-methoxyphenyl)-2-(4-methylphenyl)-1-benzofuran.
What is the SMILES notation for 3-(3-methoxyphenyl)-2-(4-methylphenyl)-1-benzofuran?
The canonical SMILES for 3-(3-methoxyphenyl)-2-(4-methylphenyl)-1-benzofuran is COc1cccc(-c2c(-c3ccc(C)cc3)oc3ccccc23)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-2-(4-methylphenyl)-1-benzofuran?
The InChIKey is MCCPBDPAXFHLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O2/c1-15-10-12-16(13-11-15)22-21(17-6-5-7-18(14-17)23-2)19-8-3-4-9-20(19)24-22/h3-14H,1-2H3.
What are the key properties of 3-(3-methoxyphenyl)-2-(4-methylphenyl)-1-benzofuran?
3-(3-methoxyphenyl)-2-(4-methylphenyl)-1-benzofuran has a molecular weight of 314.38 g/mol, XLogP of 6.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-2-(4-methylphenyl)-1-benzofuran is sourced from PubChem (CID 135057387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).