4-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-2-fluoro-6-methylphenol

C17H15FO3 — CID 164970428

IUPAC4-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-2-fluoro-6-methylphenol
SMILESCc1cc(/C=C/c2ccc3c(c2)OCCO3)cc(F)c1O
InChIInChI=1S/C17H15FO3/c1-11-8-13(9-14(18)17(11)19)3-2-12-4-5-15-16(10-12)21-7-6-20-15/h2-5,8-10,19H,6-7H2,1H3/b3-2+
InChIKeyFQHJPTHVOACHDU-NSCUHMNNSA-N
MW286.30 g/mol
LogP3.78
Rot. Bonds2

About 4-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-2-fluoro-6-methylphenol

4-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-2-fluoro-6-methylphenol (PubChem CID 164970428) has the molecular formula C17H15FO3 and a molecular weight of 286.30 g/mol. Its IUPAC name is 4-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-2-fluoro-6-methylphenol.

Molecular Properties

Compound Name4-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-2-fluoro-6-methylphenol
PubChem CID164970428
Molecular FormulaC17H15FO3
Molecular Weight286.30 g/mol
Exact Mass286.10
IUPAC Name4-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-2-fluoro-6-methylphenol
SMILESCc1cc(/C=C/c2ccc3c(c2)OCCO3)cc(F)c1O
InChIInChI=1S/C17H15FO3/c1-11-8-13(9-14(18)17(11)19)3-2-12-4-5-15-16(10-12)21-7-6-20-15/h2-5,8-10,19H,6-7H2,1H3/b3-2+
InChIKeyFQHJPTHVOACHDU-NSCUHMNNSA-N
XLogP3.78
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 53.78
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

2-fluoro-4-[(E)-2-(4-methoxyphenyl)ethenyl]-6-methylphenol
CID 165087333
2-fluoro-6-methyl-4-[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]phenol
CID 165080282
4-[2-(1,3-benzodioxol-5-yl)ethenyl]-2-fluoroaniline
CID 153491155
3-(3,4-difluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
CID 90914729
4-[2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-2,6-dimethylphenol
CID 54449458
3-fluoro-4-hydroxy-5-methylbenzaldehyde
CID 58240544
(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoyl chloride
CID 95927945
3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
CID 169481919
(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoic acid;hydrochloride
CID 175105253
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-hydroxy-N-methylprop-2-enamide
CID 54468623
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-hydroxy-5-methylphenyl)prop-2-en-1-one
CID 2780965
(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2,6-dimethylphenyl)prop-2-enamide
CID 51145488

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-2-fluoro-6-methylphenol?
The IUPAC name of 4-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-2-fluoro-6-methylphenol (CID 164970428) is 4-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-2-fluoro-6-methylphenol.
What is the SMILES notation for 4-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-2-fluoro-6-methylphenol?
The canonical SMILES for 4-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-2-fluoro-6-methylphenol is Cc1cc(/C=C/c2ccc3c(c2)OCCO3)cc(F)c1O.
What is the InChIKey of 4-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-2-fluoro-6-methylphenol?
The InChIKey is FQHJPTHVOACHDU-NSCUHMNNSA-N. The full InChI is InChI=1S/C17H15FO3/c1-11-8-13(9-14(18)17(11)19)3-2-12-4-5-15-16(10-12)21-7-6-20-15/h2-5,8-10,19H,6-7H2,1H3/b3-2+.
What are the key properties of 4-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-2-fluoro-6-methylphenol?
4-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-2-fluoro-6-methylphenol has a molecular weight of 286.30 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-2-fluoro-6-methylphenol is sourced from PubChem (CID 164970428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).