4-[4-(4-ethenyl-3-methoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol

C22H28O3 — CID 18716327

IUPAC4-[4-(4-ethenyl-3-methoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol
SMILESC=Cc1ccc(CC(C)C(C)Cc2ccc(O)c(OC)c2)cc1OC
InChIInChI=1S/C22H28O3/c1-6-19-9-7-17(13-21(19)24-4)11-15(2)16(3)12-18-8-10-20(23)22(14-18)25-5/h6-10,13-16,23H,1,11-12H2,2-5H3
InChIKeyZXCWHTLAZOIFMA-UHFFFAOYSA-N
MW340.46 g/mol
LogP5.11
Rot. Bonds8

About 4-[4-(4-ethenyl-3-methoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol

4-[4-(4-ethenyl-3-methoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol (PubChem CID 18716327) has the molecular formula C22H28O3 and a molecular weight of 340.46 g/mol. Its IUPAC name is 4-[4-(4-ethenyl-3-methoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[4-(4-ethenyl-3-methoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol
PubChem CID18716327
Molecular FormulaC22H28O3
Molecular Weight340.46 g/mol
Exact Mass340.20
IUPAC Name4-[4-(4-ethenyl-3-methoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol
SMILESC=Cc1ccc(CC(C)C(C)Cc2ccc(O)c(OC)c2)cc1OC
InChIInChI=1S/C22H28O3/c1-6-19-9-7-17(13-21(19)24-4)11-15(2)16(3)12-18-8-10-20(23)22(14-18)25-5/h6-10,13-16,23H,1,11-12H2,2-5H3
InChIKeyZXCWHTLAZOIFMA-UHFFFAOYSA-N
XLogP5.11
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.46
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2R,3S)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol
CID 11725068
2-(4-hydroxy-3-methoxyphenyl)ethane-1,1-diol
CID 146954758
1-(4-hydroxy-3-methoxyphenyl)butane-2,3-diol
CID 71398900
4-(2-iodopropyl)-2-methoxyphenol
CID 89111818
4-(2-hydroxy-4-methylpentyl)-2-methoxyphenol
CID 139528685
methyl (3R)-4-(4-hydroxy-3-methoxyphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]-3-methylbutanoate
CID 143847693
5-[4-(4-hydroxy-3-methoxyphenyl)-3-methylbutan-2-yl]-3-methoxybenzene-1,2-diol
CID 76535667
4-[2-(hydroxyamino)propyl]-2-methoxyphenol
CID 45091599
4-[(2R,3R)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2-dimethoxybenzene
CID 515707
CID 69284850
CID 69284850
2-methoxy-4-prop-2-enylphenol;hydroiodide
CID 172782314
buta-1,3-diene;bis(2-methoxy-4-prop-2-enylphenol)
CID 175132786

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-ethenyl-3-methoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol?
The IUPAC name of 4-[4-(4-ethenyl-3-methoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol (CID 18716327) is 4-[4-(4-ethenyl-3-methoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol.
What is the SMILES notation for 4-[4-(4-ethenyl-3-methoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol?
The canonical SMILES for 4-[4-(4-ethenyl-3-methoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol is C=Cc1ccc(CC(C)C(C)Cc2ccc(O)c(OC)c2)cc1OC.
What is the InChIKey of 4-[4-(4-ethenyl-3-methoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol?
The InChIKey is ZXCWHTLAZOIFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O3/c1-6-19-9-7-17(13-21(19)24-4)11-15(2)16(3)12-18-8-10-20(23)22(14-18)25-5/h6-10,13-16,23H,1,11-12H2,2-5H3.
What are the key properties of 4-[4-(4-ethenyl-3-methoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol?
4-[4-(4-ethenyl-3-methoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol has a molecular weight of 340.46 g/mol, XLogP of 5.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-ethenyl-3-methoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol is sourced from PubChem (CID 18716327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).