2-[2-(3,4-dimethoxyphenyl)ethenyl]-6-methyl-1-benzofuran

C19H18O3 — CID 67059528

IUPAC2-[2-(3,4-dimethoxyphenyl)ethenyl]-6-methyl-1-benzofuran
SMILESCOc1ccc(C=Cc2cc3ccc(C)cc3o2)cc1OC
InChIInChI=1S/C19H18O3/c1-13-4-7-15-12-16(22-18(15)10-13)8-5-14-6-9-17(20-2)19(11-14)21-3/h4-12H,1-3H3
InChIKeyYWVIXGBSPHNCPQ-UHFFFAOYSA-N
MW294.35 g/mol
LogP4.93
Rot. Bonds4

About 2-[2-(3,4-dimethoxyphenyl)ethenyl]-6-methyl-1-benzofuran

2-[2-(3,4-dimethoxyphenyl)ethenyl]-6-methyl-1-benzofuran (PubChem CID 67059528) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)ethenyl]-6-methyl-1-benzofuran.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenyl)ethenyl]-6-methyl-1-benzofuran
PubChem CID67059528
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Name2-[2-(3,4-dimethoxyphenyl)ethenyl]-6-methyl-1-benzofuran
SMILESCOc1ccc(C=Cc2cc3ccc(C)cc3o2)cc1OC
InChIInChI=1S/C19H18O3/c1-13-4-7-15-12-16(22-18(15)10-13)8-5-14-6-9-17(20-2)19(11-14)21-3/h4-12H,1-3H3
InChIKeyYWVIXGBSPHNCPQ-UHFFFAOYSA-N
XLogP4.93
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3,4-dimethoxyphenyl)ethenyl]-5-methyl-1-benzofuran
CID 67169595
2-ethenyl-6-methyl-1-benzofuran
CID 142567600
2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-methylthiophene
CID 18738932
2-[2-(3,4-dimethoxyphenyl)ethenyl]-1,3-benzoxazole
CID 2729280
1-bromo-2-[2-(3,4-dimethoxyphenyl)ethenyl]-3,4-dimethylbenzene
CID 141307971
carbanide;3,4-dimethoxybenzaldehyde;1,2-dimethoxy-4-methylbenzene;palladium
CID 158784293
1,2-dimethoxy-4-(2-methylprop-1-enyl)benzene
CID 15353455
4-[(E)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]sulfanylethenyl]-1,2-dimethoxybenzene
CID 101201572
3,4-dihydroxy-6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyran-2-one
CID 155758617
2,3-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]quinoxaline
CID 5475836
[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-trimethylstannane
CID 10806085
1,2-dimethoxy-4-penta-1,3-dienylbenzene
CID 141114401

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)ethenyl]-6-methyl-1-benzofuran?
The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)ethenyl]-6-methyl-1-benzofuran (CID 67059528) is 2-[2-(3,4-dimethoxyphenyl)ethenyl]-6-methyl-1-benzofuran.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)ethenyl]-6-methyl-1-benzofuran?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)ethenyl]-6-methyl-1-benzofuran is COc1ccc(C=Cc2cc3ccc(C)cc3o2)cc1OC.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)ethenyl]-6-methyl-1-benzofuran?
The InChIKey is YWVIXGBSPHNCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O3/c1-13-4-7-15-12-16(22-18(15)10-13)8-5-14-6-9-17(20-2)19(11-14)21-3/h4-12H,1-3H3.
What are the key properties of 2-[2-(3,4-dimethoxyphenyl)ethenyl]-6-methyl-1-benzofuran?
2-[2-(3,4-dimethoxyphenyl)ethenyl]-6-methyl-1-benzofuran has a molecular weight of 294.35 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxyphenyl)ethenyl]-6-methyl-1-benzofuran is sourced from PubChem (CID 67059528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).