2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenol

C18H20O5 — CID 24996163

IUPAC2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenol
SMILESC=C(c1ccc(OC)c(O)c1)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C18H20O5/c1-11(12-6-7-15(20-2)14(19)8-12)13-9-16(21-3)18(23-5)17(10-13)22-4/h6-10,19H,1H2,2-5H3
InChIKeyCNGKIRSNRQSORA-UHFFFAOYSA-N
MW316.35 g/mol
LogP3.49
Rot. Bonds6

About 2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenol

2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenol (PubChem CID 24996163) has the molecular formula C18H20O5 and a molecular weight of 316.35 g/mol. Its IUPAC name is 2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenol
PubChem CID24996163
Molecular FormulaC18H20O5
Molecular Weight316.35 g/mol
Exact Mass316.13
IUPAC Name2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenol
SMILESC=C(c1ccc(OC)c(O)c1)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C18H20O5/c1-11(12-6-7-15(20-2)14(19)8-12)13-9-16(21-3)18(23-5)17(10-13)22-4/h6-10,19H,1H2,2-5H3
InChIKeyCNGKIRSNRQSORA-UHFFFAOYSA-N
XLogP3.49
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 3314
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Pterostilbene
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(-)-Secoisolariciresinol
CID 65373
4-Vinylguaiacol
CID 332
2-Methoxy-4-Methylphenol
CID 7144
Methoxyhydroxyphenylglycol
CID 10805
4-Propylguaiacol
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CID 637775

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenol?
The IUPAC name of 2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenol (CID 24996163) is 2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenol.
What is the SMILES notation for 2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenol?
The canonical SMILES for 2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenol is C=C(c1ccc(OC)c(O)c1)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenol?
The InChIKey is CNGKIRSNRQSORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O5/c1-11(12-6-7-15(20-2)14(19)8-12)13-9-16(21-3)18(23-5)17(10-13)22-4/h6-10,19H,1H2,2-5H3.
What are the key properties of 2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenol?
2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenol has a molecular weight of 316.35 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenol is sourced from PubChem (CID 24996163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).