3-[(E)-2-(4-methoxyphenyl)ethenyl]-5-(trideuteriomethoxy)phenol

C16H16O3 — CID 175345045

IUPAC3-[(E)-2-(4-methoxyphenyl)ethenyl]-5-(trideuteriomethoxy)phenol
SMILES[2H]C([2H])([2H])Oc1cc(O)cc(/C=C/c2ccc(OC)cc2)c1
InChIInChI=1S/C16H16O3/c1-18-15-7-5-12(6-8-15)3-4-13-9-14(17)11-16(10-13)19-2/h3-11,17H,1-2H3/b4-3+/i2D3
InChIKeyULMJJZHWFJYIMM-MPEUKODPSA-N
MW259.32 g/mol
LogP3.58
Rot. Bonds5

About 3-[(E)-2-(4-methoxyphenyl)ethenyl]-5-(trideuteriomethoxy)phenol

3-[(E)-2-(4-methoxyphenyl)ethenyl]-5-(trideuteriomethoxy)phenol (PubChem CID 175345045) has the molecular formula C16H16O3 and a molecular weight of 259.32 g/mol. Its IUPAC name is 3-[(E)-2-(4-methoxyphenyl)ethenyl]-5-(trideuteriomethoxy)phenol.

Molecular Properties

Compound Name3-[(E)-2-(4-methoxyphenyl)ethenyl]-5-(trideuteriomethoxy)phenol
PubChem CID175345045
Molecular FormulaC16H16O3
Molecular Weight259.32 g/mol
Exact Mass259.13
IUPAC Name3-[(E)-2-(4-methoxyphenyl)ethenyl]-5-(trideuteriomethoxy)phenol
SMILES[2H]C([2H])([2H])Oc1cc(O)cc(/C=C/c2ccc(OC)cc2)c1
InChIInChI=1S/C16H16O3/c1-18-15-7-5-12(6-8-15)3-4-13-9-14(17)11-16(10-13)19-2/h3-11,17H,1-2H3/b4-3+/i2D3
InChIKeyULMJJZHWFJYIMM-MPEUKODPSA-N
XLogP3.58
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methane;3-methoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]phenol;3-methoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]phenol
CID 159204290
1,3-dimethoxy-5-[2-(4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)ethenyl]benzene
CID 57369399
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
4-[(E)-2-(3-methoxy-5-methylphenyl)ethenyl]phenol
CID 58288557
3-[(E)-2-(2-hydroxyphenyl)ethenyl]-5-methoxyphenol
CID 102318988
3-methoxy-5-(2-naphthalen-2-yloxyethenyl)phenol
CID 75952248
1-[(E)-2-(4-tert-butylphenyl)ethenyl]-3,5-dimethoxybenzene
CID 102263178
3-methoxy-5-[(E)-2-(4-methylphenoxy)ethenyl]phenol
CID 24866673
1-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene
CID 139077239
1,3-dimethoxy-5-[2-(4-methylphenyl)ethenyl]benzene
CID 58240360
sodium;3-[2-(1-benzothiophen-2-yl)ethenyl]-5-methoxyphenol;hydride
CID 173047029
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(4-methoxyphenyl)ethenyl]-5-(trideuteriomethoxy)phenol?
The IUPAC name of 3-[(E)-2-(4-methoxyphenyl)ethenyl]-5-(trideuteriomethoxy)phenol (CID 175345045) is 3-[(E)-2-(4-methoxyphenyl)ethenyl]-5-(trideuteriomethoxy)phenol.
What is the SMILES notation for 3-[(E)-2-(4-methoxyphenyl)ethenyl]-5-(trideuteriomethoxy)phenol?
The canonical SMILES for 3-[(E)-2-(4-methoxyphenyl)ethenyl]-5-(trideuteriomethoxy)phenol is [2H]C([2H])([2H])Oc1cc(O)cc(/C=C/c2ccc(OC)cc2)c1.
What is the InChIKey of 3-[(E)-2-(4-methoxyphenyl)ethenyl]-5-(trideuteriomethoxy)phenol?
The InChIKey is ULMJJZHWFJYIMM-MPEUKODPSA-N. The full InChI is InChI=1S/C16H16O3/c1-18-15-7-5-12(6-8-15)3-4-13-9-14(17)11-16(10-13)19-2/h3-11,17H,1-2H3/b4-3+/i2D3.
What are the key properties of 3-[(E)-2-(4-methoxyphenyl)ethenyl]-5-(trideuteriomethoxy)phenol?
3-[(E)-2-(4-methoxyphenyl)ethenyl]-5-(trideuteriomethoxy)phenol has a molecular weight of 259.32 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(4-methoxyphenyl)ethenyl]-5-(trideuteriomethoxy)phenol is sourced from PubChem (CID 175345045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).