2-fluoro-4-[(E)-2-(4-methoxyphenyl)ethenyl]-6-methylphenol

C16H15FO2 — CID 165087333

IUPAC2-fluoro-4-[(E)-2-(4-methoxyphenyl)ethenyl]-6-methylphenol
SMILESCOc1ccc(/C=C/c2cc(C)c(O)c(F)c2)cc1
InChIInChI=1S/C16H15FO2/c1-11-9-13(10-15(17)16(11)18)4-3-12-5-7-14(19-2)8-6-12/h3-10,18H,1-2H3/b4-3+
InChIKeyOBKWRFUHQMZQHB-ONEGZZNKSA-N
MW258.29 g/mol
LogP4.02
Rot. Bonds3

About 2-fluoro-4-[(E)-2-(4-methoxyphenyl)ethenyl]-6-methylphenol

2-fluoro-4-[(E)-2-(4-methoxyphenyl)ethenyl]-6-methylphenol (PubChem CID 165087333) has the molecular formula C16H15FO2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 2-fluoro-4-[(E)-2-(4-methoxyphenyl)ethenyl]-6-methylphenol.

Molecular Properties

Compound Name2-fluoro-4-[(E)-2-(4-methoxyphenyl)ethenyl]-6-methylphenol
PubChem CID165087333
Molecular FormulaC16H15FO2
Molecular Weight258.29 g/mol
Exact Mass258.11
IUPAC Name2-fluoro-4-[(E)-2-(4-methoxyphenyl)ethenyl]-6-methylphenol
SMILESCOc1ccc(/C=C/c2cc(C)c(O)c(F)c2)cc1
InChIInChI=1S/C16H15FO2/c1-11-9-13(10-15(17)16(11)18)4-3-12-5-7-14(19-2)8-6-12/h3-10,18H,1-2H3/b4-3+
InChIKeyOBKWRFUHQMZQHB-ONEGZZNKSA-N
XLogP4.02
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-2-hydroxy-5-[2-(4-methoxyphenyl)ethenyl]benzaldehyde
CID 175076410
4-[(Z)-2-(4-methoxyphenyl)ethenyl]-1,2-dimethylbenzene
CID 10999067
2-fluoro-6-methyl-4-[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]phenol
CID 165080282
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
4-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-2-fluoro-6-methylphenol
CID 164970428
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
methane;3-methoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]phenol;3-methoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]phenol
CID 159204290
4-[(E)-2-(4-methoxyphenyl)ethenyl]-2,6-dimethylpyridine
CID 102336030
4-[2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-2,6-dimethylphenol
CID 54449458
2-[2-(4-methoxyphenyl)ethenyl]-1,3,5-trimethylbenzene
CID 69464209
4-[(E)-2-(6-methoxy-1,3-benzothiazol-2-yl)ethenyl]-2,6-dimethylphenol
CID 135556592
[3-fluoro-5-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]boronic acid
CID 155715469

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(E)-2-(4-methoxyphenyl)ethenyl]-6-methylphenol?
The IUPAC name of 2-fluoro-4-[(E)-2-(4-methoxyphenyl)ethenyl]-6-methylphenol (CID 165087333) is 2-fluoro-4-[(E)-2-(4-methoxyphenyl)ethenyl]-6-methylphenol.
What is the SMILES notation for 2-fluoro-4-[(E)-2-(4-methoxyphenyl)ethenyl]-6-methylphenol?
The canonical SMILES for 2-fluoro-4-[(E)-2-(4-methoxyphenyl)ethenyl]-6-methylphenol is COc1ccc(/C=C/c2cc(C)c(O)c(F)c2)cc1.
What is the InChIKey of 2-fluoro-4-[(E)-2-(4-methoxyphenyl)ethenyl]-6-methylphenol?
The InChIKey is OBKWRFUHQMZQHB-ONEGZZNKSA-N. The full InChI is InChI=1S/C16H15FO2/c1-11-9-13(10-15(17)16(11)18)4-3-12-5-7-14(19-2)8-6-12/h3-10,18H,1-2H3/b4-3+.
What are the key properties of 2-fluoro-4-[(E)-2-(4-methoxyphenyl)ethenyl]-6-methylphenol?
2-fluoro-4-[(E)-2-(4-methoxyphenyl)ethenyl]-6-methylphenol has a molecular weight of 258.29 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(E)-2-(4-methoxyphenyl)ethenyl]-6-methylphenol is sourced from PubChem (CID 165087333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).