5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-fluorobenzene-1,3-diol

C16H15FO4 — CID 72723769

IUPAC5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-fluorobenzene-1,3-diol
SMILESCOc1ccc(/C=C/c2cc(O)c(F)c(O)c2)cc1OC
InChIInChI=1S/C16H15FO4/c1-20-14-6-5-10(9-15(14)21-2)3-4-11-7-12(18)16(17)13(19)8-11/h3-9,18-19H,1-2H3/b4-3+
InChIKeyYWQMOXAKUCTNCF-ONEGZZNKSA-N
MW290.29 g/mol
LogP3.42
Rot. Bonds4

About 5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-fluorobenzene-1,3-diol

5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-fluorobenzene-1,3-diol (PubChem CID 72723769) has the molecular formula C16H15FO4 and a molecular weight of 290.29 g/mol. Its IUPAC name is 5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-fluorobenzene-1,3-diol.

Molecular Properties

Compound Name5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-fluorobenzene-1,3-diol
PubChem CID72723769
Molecular FormulaC16H15FO4
Molecular Weight290.29 g/mol
Exact Mass290.10
IUPAC Name5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-fluorobenzene-1,3-diol
SMILESCOc1ccc(/C=C/c2cc(O)c(F)c(O)c2)cc1OC
InChIInChI=1S/C16H15FO4/c1-20-14-6-5-10(9-15(14)21-2)3-4-11-7-12(18)16(17)13(19)8-11/h3-9,18-19H,1-2H3/b4-3+
InChIKeyYWQMOXAKUCTNCF-ONEGZZNKSA-N
XLogP3.42
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(Z)-2-(3,4-dimethoxyphenyl)ethenyl]-2,3-dimethoxyphenol
CID 5386528
2-methoxy-4-[2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenol
CID 91447889
2-methoxy-4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenol
CID 87643228
4-[(1E,3E)-4-(3,4-dimethoxyphenyl)buta-1,3-dienyl]-2-methoxyphenol
CID 87643823
5-[2-(3,4-dimethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene;phosphoric acid
CID 69301542
5-[(Z)-2-(3-fluorosulfonyloxy-4-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene;2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 163428609
2-methoxy-5-[(Z)-2-phenylethenyl]phenol
CID 6473980
2-ethyl-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 139943086
5-[(Z)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]-2-methylphenol
CID 59149568
[5-[(Z)-2-(3-hydroxy-4,5-dimethoxyphenyl)ethenyl]-2-methoxyphenyl]azanium chloride
CID 44584265
1,2-dimethoxy-4-(2-methylprop-1-enyl)benzene
CID 15353455
4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2-methoxyphenol
CID 10377070

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-fluorobenzene-1,3-diol?
The IUPAC name of 5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-fluorobenzene-1,3-diol (CID 72723769) is 5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-fluorobenzene-1,3-diol.
What is the SMILES notation for 5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-fluorobenzene-1,3-diol?
The canonical SMILES for 5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-fluorobenzene-1,3-diol is COc1ccc(/C=C/c2cc(O)c(F)c(O)c2)cc1OC.
What is the InChIKey of 5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-fluorobenzene-1,3-diol?
The InChIKey is YWQMOXAKUCTNCF-ONEGZZNKSA-N. The full InChI is InChI=1S/C16H15FO4/c1-20-14-6-5-10(9-15(14)21-2)3-4-11-7-12(18)16(17)13(19)8-11/h3-9,18-19H,1-2H3/b4-3+.
What are the key properties of 5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-fluorobenzene-1,3-diol?
5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-fluorobenzene-1,3-diol has a molecular weight of 290.29 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-fluorobenzene-1,3-diol is sourced from PubChem (CID 72723769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).