4-[(E)-2-[2,6-bis(trideuteriomethoxy)phenyl]ethenyl]-3-methoxyphenol

C17H18O4 — CID 169439024

IUPAC4-[(E)-2-[2,6-bis(trideuteriomethoxy)phenyl]ethenyl]-3-methoxyphenol
SMILES[2H]C([2H])([2H])Oc1cccc(OC([2H])([2H])[2H])c1/C=C/c1ccc(O)cc1OC
InChIInChI=1S/C17H18O4/c1-19-15-5-4-6-16(20-2)14(15)10-8-12-7-9-13(18)11-17(12)21-3/h4-11,18H,1-3H3/b10-8+/i1D3,2D3
InChIKeyQTKLRRLBFLUBQP-ZBQZUAQCSA-N
MW292.36 g/mol
LogP3.59
Rot. Bonds7

About 4-[(E)-2-[2,6-bis(trideuteriomethoxy)phenyl]ethenyl]-3-methoxyphenol

4-[(E)-2-[2,6-bis(trideuteriomethoxy)phenyl]ethenyl]-3-methoxyphenol (PubChem CID 169439024) has the molecular formula C17H18O4 and a molecular weight of 292.36 g/mol. Its IUPAC name is 4-[(E)-2-[2,6-bis(trideuteriomethoxy)phenyl]ethenyl]-3-methoxyphenol.

Molecular Properties

Compound Name4-[(E)-2-[2,6-bis(trideuteriomethoxy)phenyl]ethenyl]-3-methoxyphenol
PubChem CID169439024
Molecular FormulaC17H18O4
Molecular Weight292.36 g/mol
Exact Mass292.16
IUPAC Name4-[(E)-2-[2,6-bis(trideuteriomethoxy)phenyl]ethenyl]-3-methoxyphenol
SMILES[2H]C([2H])([2H])Oc1cccc(OC([2H])([2H])[2H])c1/C=C/c1ccc(O)cc1OC
InChIInChI=1S/C17H18O4/c1-19-15-5-4-6-16(20-2)14(15)10-8-12-7-9-13(18)11-17(12)21-3/h4-11,18H,1-3H3/b10-8+/i1D3,2D3
InChIKeyQTKLRRLBFLUBQP-ZBQZUAQCSA-N
XLogP3.59
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

3-(4-hydroxy-2-methoxyphenyl)prop-2-enenitrile
CID 169483334
methyl 2-[2-(2,6-dimethoxyphenyl)ethenyl]-6-hydroxy-4-methoxybenzoate
CID 154074888
(E)-1-(3,5-dihydroxyphenyl)-3-(4-hydroxy-2-methoxyphenyl)prop-2-en-1-one
CID 172559232
4-[(E)-2-(3-hydroxyphenyl)ethenyl]-5-methoxybenzene-1,2-diol
CID 155072350
1-(2,4-dihydroxyphenyl)-3-(4-hydroxy-2-methoxyphenyl)prop-2-en-1-one
CID 139808066
3-(2,6-dimethoxyphenyl)prop-2-enal
CID 54191678
4-[2-(3-ethyl-5-methyl-1,3,4-thiadiazol-3-ium-2-yl)ethenyl]-3-methoxyphenol bromide
CID 140519793
2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]phenol
CID 56681826
3-methoxy-4-[(phenylhydrazinylidene)methyl]phenol
CID 169381641
1-[(E)-2-(2-bromo-3-methoxyphenyl)ethenyl]-2,4-dimethoxybenzene
CID 59502056
4-[2-(2,4-dimethoxyphenyl)ethenoxy]phenol
CID 131632823
1-[(Z)-2-[2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-2,4-dimethoxybenzene
CID 171376648

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[2,6-bis(trideuteriomethoxy)phenyl]ethenyl]-3-methoxyphenol?
The IUPAC name of 4-[(E)-2-[2,6-bis(trideuteriomethoxy)phenyl]ethenyl]-3-methoxyphenol (CID 169439024) is 4-[(E)-2-[2,6-bis(trideuteriomethoxy)phenyl]ethenyl]-3-methoxyphenol.
What is the SMILES notation for 4-[(E)-2-[2,6-bis(trideuteriomethoxy)phenyl]ethenyl]-3-methoxyphenol?
The canonical SMILES for 4-[(E)-2-[2,6-bis(trideuteriomethoxy)phenyl]ethenyl]-3-methoxyphenol is [2H]C([2H])([2H])Oc1cccc(OC([2H])([2H])[2H])c1/C=C/c1ccc(O)cc1OC.
What is the InChIKey of 4-[(E)-2-[2,6-bis(trideuteriomethoxy)phenyl]ethenyl]-3-methoxyphenol?
The InChIKey is QTKLRRLBFLUBQP-ZBQZUAQCSA-N. The full InChI is InChI=1S/C17H18O4/c1-19-15-5-4-6-16(20-2)14(15)10-8-12-7-9-13(18)11-17(12)21-3/h4-11,18H,1-3H3/b10-8+/i1D3,2D3.
What are the key properties of 4-[(E)-2-[2,6-bis(trideuteriomethoxy)phenyl]ethenyl]-3-methoxyphenol?
4-[(E)-2-[2,6-bis(trideuteriomethoxy)phenyl]ethenyl]-3-methoxyphenol has a molecular weight of 292.36 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[2,6-bis(trideuteriomethoxy)phenyl]ethenyl]-3-methoxyphenol is sourced from PubChem (CID 169439024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).