cyclobutane;2,3-dimethoxy-6-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenol

C23H30O6 — CID 145336947

IUPACcyclobutane;2,3-dimethoxy-6-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenol
SMILESC1CCC1.C=C(c1cc(OC)c(OC)c(OC)c1)c1ccc(OC)c(OC)c1O
InChIInChI=1S/C19H22O6.C4H8/c1-11(13-7-8-14(21-2)19(25-6)17(13)20)12-9-15(22-3)18(24-5)16(10-12)23-4;1-2-4-3-1/h7-10,20H,1H2,2-6H3;1-4H2
InChIKeyHEHRIDZVFQZGQE-UHFFFAOYSA-N
MW402.49 g/mol
LogP5.06
Rot. Bonds7

About cyclobutane;2,3-dimethoxy-6-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenol

cyclobutane;2,3-dimethoxy-6-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenol (PubChem CID 145336947) has the molecular formula C23H30O6 and a molecular weight of 402.49 g/mol. Its IUPAC name is cyclobutane;2,3-dimethoxy-6-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenol.

Molecular Properties

Compound Namecyclobutane;2,3-dimethoxy-6-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenol
PubChem CID145336947
Molecular FormulaC23H30O6
Molecular Weight402.49 g/mol
Exact Mass402.20
IUPAC Namecyclobutane;2,3-dimethoxy-6-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenol
SMILESC1CCC1.C=C(c1cc(OC)c(OC)c(OC)c1)c1ccc(OC)c(OC)c1O
InChIInChI=1S/C19H22O6.C4H8/c1-11(13-7-8-14(21-2)19(25-6)17(13)20)12-9-15(22-3)18(24-5)16(10-12)23-4;1-2-4-3-1/h7-10,20H,1H2,2-6H3;1-4H2
InChIKeyHEHRIDZVFQZGQE-UHFFFAOYSA-N
XLogP5.06
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.49
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cyclobutane;2,3-dimethoxy-6-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenol?
The IUPAC name of cyclobutane;2,3-dimethoxy-6-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenol (CID 145336947) is cyclobutane;2,3-dimethoxy-6-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenol.
What is the SMILES notation for cyclobutane;2,3-dimethoxy-6-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenol?
The canonical SMILES for cyclobutane;2,3-dimethoxy-6-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenol is C1CCC1.C=C(c1cc(OC)c(OC)c(OC)c1)c1ccc(OC)c(OC)c1O.
What is the InChIKey of cyclobutane;2,3-dimethoxy-6-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenol?
The InChIKey is HEHRIDZVFQZGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O6.C4H8/c1-11(13-7-8-14(21-2)19(25-6)17(13)20)12-9-15(22-3)18(24-5)16(10-12)23-4;1-2-4-3-1/h7-10,20H,1H2,2-6H3;1-4H2.
What are the key properties of cyclobutane;2,3-dimethoxy-6-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenol?
cyclobutane;2,3-dimethoxy-6-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenol has a molecular weight of 402.49 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutane;2,3-dimethoxy-6-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenol is sourced from PubChem (CID 145336947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).