2-[2-(3,4-dimethoxyphenyl)-1-benzofuran-5-yl]ethanol

C18H18O4 — CID 24946507

IUPAC2-[2-(3,4-dimethoxyphenyl)-1-benzofuran-5-yl]ethanol
SMILESCOc1ccc(-c2cc3cc(CCO)ccc3o2)cc1OC
InChIInChI=1S/C18H18O4/c1-20-16-6-4-13(10-18(16)21-2)17-11-14-9-12(7-8-19)3-5-15(14)22-17/h3-6,9-11,19H,7-8H2,1-2H3
InChIKeyWVIJVWZZEZBMSW-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.65
Rot. Bonds5

About 2-[2-(3,4-dimethoxyphenyl)-1-benzofuran-5-yl]ethanol

2-[2-(3,4-dimethoxyphenyl)-1-benzofuran-5-yl]ethanol (PubChem CID 24946507) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)-1-benzofuran-5-yl]ethanol.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenyl)-1-benzofuran-5-yl]ethanol
PubChem CID24946507
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Name2-[2-(3,4-dimethoxyphenyl)-1-benzofuran-5-yl]ethanol
SMILESCOc1ccc(-c2cc3cc(CCO)ccc3o2)cc1OC
InChIInChI=1S/C18H18O4/c1-20-16-6-4-13(10-18(16)21-2)17-11-14-9-12(7-8-19)3-5-15(14)22-17/h3-6,9-11,19H,7-8H2,1-2H3
InChIKeyWVIJVWZZEZBMSW-UHFFFAOYSA-N
XLogP3.65
TPSA51.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(2-hydroxyethyl)-1-benzofuran-2-yl]-5-methoxyphenol
CID 141202465
2-(3,4-dimethoxyphenyl)-5-prop-2-enoxy-1-benzofuran
CID 24946681
3-[2-(3,4-dimethoxyphenyl)-1-benzofuran-5-yl]-3-ethylpentanamide
CID 68875534
1-[2-(3,4-dimethoxyphenyl)-1-benzofuran-5-yl]-3-(2,6-dimethylmorpholin-4-yl)propan-2-one
CID 91093539
2-(6,7-dimethoxynaphthalen-2-yl)ethanol
CID 12849270
N,N-diethyl-2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]acetamide
CID 24947773
2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]-N,N-dipropylacetamide
CID 24947774
2-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]ethanol
CID 117001680
methyl 3-[2-(3-methoxyphenyl)-1-benzofuran-5-yl]propanoate
CID 23083078
5-(5-chloro-1-benzofuran-2-yl)-2-methoxyaniline
CID 114731889
1-[2-methoxy-5-(5-methyl-1-benzofuran-2-yl)phenyl]-N-methylmethanamine
CID 114732268
2-(3,4-dimethoxyphenyl)chromen-4-one
CID 158873505

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)-1-benzofuran-5-yl]ethanol?
The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)-1-benzofuran-5-yl]ethanol (CID 24946507) is 2-[2-(3,4-dimethoxyphenyl)-1-benzofuran-5-yl]ethanol.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)-1-benzofuran-5-yl]ethanol?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)-1-benzofuran-5-yl]ethanol is COc1ccc(-c2cc3cc(CCO)ccc3o2)cc1OC.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)-1-benzofuran-5-yl]ethanol?
The InChIKey is WVIJVWZZEZBMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O4/c1-20-16-6-4-13(10-18(16)21-2)17-11-14-9-12(7-8-19)3-5-15(14)22-17/h3-6,9-11,19H,7-8H2,1-2H3.
What are the key properties of 2-[2-(3,4-dimethoxyphenyl)-1-benzofuran-5-yl]ethanol?
2-[2-(3,4-dimethoxyphenyl)-1-benzofuran-5-yl]ethanol has a molecular weight of 298.34 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxyphenyl)-1-benzofuran-5-yl]ethanol is sourced from PubChem (CID 24946507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).