2-benzyl-6-methoxy-3-(4-methoxyphenyl)-1-benzofuran

C23H20O3 — CID 154708443

IUPAC2-benzyl-6-methoxy-3-(4-methoxyphenyl)-1-benzofuran
SMILESCOc1ccc(-c2c(Cc3ccccc3)oc3cc(OC)ccc23)cc1
InChIInChI=1S/C23H20O3/c1-24-18-10-8-17(9-11-18)23-20-13-12-19(25-2)15-21(20)26-22(23)14-16-6-4-3-5-7-16/h3-13,15H,14H2,1-2H3
InChIKeyNGTPDRCUKNODGC-UHFFFAOYSA-N
MW344.41 g/mol
LogP5.71
Rot. Bonds5

About 2-benzyl-6-methoxy-3-(4-methoxyphenyl)-1-benzofuran

2-benzyl-6-methoxy-3-(4-methoxyphenyl)-1-benzofuran (PubChem CID 154708443) has the molecular formula C23H20O3 and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-benzyl-6-methoxy-3-(4-methoxyphenyl)-1-benzofuran.

Molecular Properties

Compound Name2-benzyl-6-methoxy-3-(4-methoxyphenyl)-1-benzofuran
PubChem CID154708443
Molecular FormulaC23H20O3
Molecular Weight344.41 g/mol
Exact Mass344.14
IUPAC Name2-benzyl-6-methoxy-3-(4-methoxyphenyl)-1-benzofuran
SMILESCOc1ccc(-c2c(Cc3ccccc3)oc3cc(OC)ccc23)cc1
InChIInChI=1S/C23H20O3/c1-24-18-10-8-17(9-11-18)23-20-13-12-19(25-2)15-21(20)26-22(23)14-16-6-4-3-5-7-16/h3-13,15H,14H2,1-2H3
InChIKeyNGTPDRCUKNODGC-UHFFFAOYSA-N
XLogP5.71
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.41
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-2-methyl-3-phenyl-1-benzofuran
CID 3448866
2-bromo-6-methoxy-3-phenyl-1-benzofuran
CID 21436790
2-(bromomethyl)-7-methoxy-3-(4-methoxyphenyl)chromen-4-one
CID 10619458
7-ethoxy-3-(4-methoxyphenyl)-4-phenylchromen-2-one
CID 5038923
methyl (2R)-2-[4-[4-(2-benzyl-1-benzofuran-3-yl)phenyl]phenoxy]propanoate
CID 10600136
2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethanamine
CID 11023552
3-(4-chlorophenyl)-6-methoxy-1-benzofuran-2-carbaldehyde
CID 154079625
9-methoxy-12-phenylbenzo[a]xanthen-4-one
CID 70908154
7-[(3-methoxyphenyl)methoxy]-4-methyl-3-phenylchromen-2-one
CID 44963511
5-benzyl-4-(4-methoxyphenyl)-1H-pyrazol-3-amine
CID 6456520
7-methoxy-N,N-dimethyl-2-oxo-4-phenylchromene-3-carboxamide
CID 177461075
1-benzyl-4-methoxybenzene;molecular nitrogen
CID 175140604

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-methoxy-3-(4-methoxyphenyl)-1-benzofuran?
The IUPAC name of 2-benzyl-6-methoxy-3-(4-methoxyphenyl)-1-benzofuran (CID 154708443) is 2-benzyl-6-methoxy-3-(4-methoxyphenyl)-1-benzofuran.
What is the SMILES notation for 2-benzyl-6-methoxy-3-(4-methoxyphenyl)-1-benzofuran?
The canonical SMILES for 2-benzyl-6-methoxy-3-(4-methoxyphenyl)-1-benzofuran is COc1ccc(-c2c(Cc3ccccc3)oc3cc(OC)ccc23)cc1.
What is the InChIKey of 2-benzyl-6-methoxy-3-(4-methoxyphenyl)-1-benzofuran?
The InChIKey is NGTPDRCUKNODGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O3/c1-24-18-10-8-17(9-11-18)23-20-13-12-19(25-2)15-21(20)26-22(23)14-16-6-4-3-5-7-16/h3-13,15H,14H2,1-2H3.
What are the key properties of 2-benzyl-6-methoxy-3-(4-methoxyphenyl)-1-benzofuran?
2-benzyl-6-methoxy-3-(4-methoxyphenyl)-1-benzofuran has a molecular weight of 344.41 g/mol, XLogP of 5.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-methoxy-3-(4-methoxyphenyl)-1-benzofuran is sourced from PubChem (CID 154708443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).