2-fluoro-6-[(E)-2-(1-methylindol-2-yl)ethenyl]phenol

C17H14FNO — CID 19689622

IUPAC2-fluoro-6-[(E)-2-(1-methylindol-2-yl)ethenyl]phenol
SMILESCn1c(/C=C/c2cccc(F)c2O)cc2ccccc21
InChIInChI=1S/C17H14FNO/c1-19-14(11-13-5-2-3-8-16(13)19)10-9-12-6-4-7-15(18)17(12)20/h2-11,20H,1H3/b10-9+
InChIKeyWKCFKUFMMDYNBH-MDZDMXLPSA-N
MW267.30 g/mol
LogP4.19
Rot. Bonds2

About 2-fluoro-6-[(E)-2-(1-methylindol-2-yl)ethenyl]phenol

2-fluoro-6-[(E)-2-(1-methylindol-2-yl)ethenyl]phenol (PubChem CID 19689622) has the molecular formula C17H14FNO and a molecular weight of 267.30 g/mol. Its IUPAC name is 2-fluoro-6-[(E)-2-(1-methylindol-2-yl)ethenyl]phenol.

Molecular Properties

Compound Name2-fluoro-6-[(E)-2-(1-methylindol-2-yl)ethenyl]phenol
PubChem CID19689622
Molecular FormulaC17H14FNO
Molecular Weight267.30 g/mol
Exact Mass267.11
IUPAC Name2-fluoro-6-[(E)-2-(1-methylindol-2-yl)ethenyl]phenol
SMILESCn1c(/C=C/c2cccc(F)c2O)cc2ccccc21
InChIInChI=1S/C17H14FNO/c1-19-14(11-13-5-2-3-8-16(13)19)10-9-12-6-4-7-15(18)17(12)20/h2-11,20H,1H3/b10-9+
InChIKeyWKCFKUFMMDYNBH-MDZDMXLPSA-N
XLogP4.19
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(E)-2-(1-methylindol-2-yl)ethenyl]phenol?
The IUPAC name of 2-fluoro-6-[(E)-2-(1-methylindol-2-yl)ethenyl]phenol (CID 19689622) is 2-fluoro-6-[(E)-2-(1-methylindol-2-yl)ethenyl]phenol.
What is the SMILES notation for 2-fluoro-6-[(E)-2-(1-methylindol-2-yl)ethenyl]phenol?
The canonical SMILES for 2-fluoro-6-[(E)-2-(1-methylindol-2-yl)ethenyl]phenol is Cn1c(/C=C/c2cccc(F)c2O)cc2ccccc21.
What is the InChIKey of 2-fluoro-6-[(E)-2-(1-methylindol-2-yl)ethenyl]phenol?
The InChIKey is WKCFKUFMMDYNBH-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H14FNO/c1-19-14(11-13-5-2-3-8-16(13)19)10-9-12-6-4-7-15(18)17(12)20/h2-11,20H,1H3/b10-9+.
What are the key properties of 2-fluoro-6-[(E)-2-(1-methylindol-2-yl)ethenyl]phenol?
2-fluoro-6-[(E)-2-(1-methylindol-2-yl)ethenyl]phenol has a molecular weight of 267.30 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[(E)-2-(1-methylindol-2-yl)ethenyl]phenol is sourced from PubChem (CID 19689622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).