2-fluoro-6-methyl-4-[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]phenol

C19H20FNO — CID 165080282

IUPAC2-fluoro-6-methyl-4-[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]phenol
SMILESCc1cc(/C=C/c2ccc(N3CCCC3)cc2)cc(F)c1O
InChIInChI=1S/C19H20FNO/c1-14-12-16(13-18(20)19(14)22)5-4-15-6-8-17(9-7-15)21-10-2-3-11-21/h4-9,12-13,22H,2-3,10-11H2,1H3/b5-4+
InChIKeyNTRRFUSYAJSIBI-SNAWJCMRSA-N
MW297.37 g/mol
LogP4.61
Rot. Bonds3

About 2-fluoro-6-methyl-4-[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]phenol

2-fluoro-6-methyl-4-[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]phenol (PubChem CID 165080282) has the molecular formula C19H20FNO and a molecular weight of 297.37 g/mol. Its IUPAC name is 2-fluoro-6-methyl-4-[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]phenol.

Molecular Properties

Compound Name2-fluoro-6-methyl-4-[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]phenol
PubChem CID165080282
Molecular FormulaC19H20FNO
Molecular Weight297.37 g/mol
Exact Mass297.15
IUPAC Name2-fluoro-6-methyl-4-[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]phenol
SMILESCc1cc(/C=C/c2ccc(N3CCCC3)cc2)cc(F)c1O
InChIInChI=1S/C19H20FNO/c1-14-12-16(13-18(20)19(14)22)5-4-15-6-8-17(9-7-15)21-10-2-3-11-21/h4-9,12-13,22H,2-3,10-11H2,1H3/b5-4+
InChIKeyNTRRFUSYAJSIBI-SNAWJCMRSA-N
XLogP4.61
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-3-methyl-5-[(E)-2-(4-piperidin-1-ylphenyl)ethenyl]benzaldehyde
CID 159685527
2,6-dimethyl-4-[(E)-2-(4-morpholin-4-ylphenyl)ethenyl]phenol
CID 164970433
2-[(cyclopropylamino)methyl]-6-fluoro-4-[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]phenol
CID 139552191
2-fluoro-4-[(E)-2-(4-methoxyphenyl)ethenyl]-6-methylphenol
CID 165087333
1-[4-[2-(4-piperidin-1-ylphenyl)ethenyl]phenyl]piperidine
CID 56975979
2-fluoro-6-[(4-methyl-4-oxidopiperazin-4-ium-1-yl)iminomethyl]-4-[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]phenol
CID 175082266
N-[(E)-[3-fluoro-2-hydroxy-5-[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]phenyl]methylideneamino]benzamide
CID 139552114
1-methyl-4-[2-(4-pyrrolidin-1-ylphenyl)ethenyl]pyridin-1-ium iodide
CID 71447202
1-methyl-4-[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]pyridin-1-ium iodide
CID 91995316
2-hydroxy-3-methoxy-5-[2-(4-pyrrolidin-1-ylphenyl)ethenyl]benzaldehyde
CID 175083066
4-[2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-2,6-dimethylphenol
CID 54449458
3-fluoro-4-hydroxy-5-methylbenzaldehyde
CID 58240544

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methyl-4-[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]phenol?
The IUPAC name of 2-fluoro-6-methyl-4-[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]phenol (CID 165080282) is 2-fluoro-6-methyl-4-[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]phenol.
What is the SMILES notation for 2-fluoro-6-methyl-4-[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]phenol?
The canonical SMILES for 2-fluoro-6-methyl-4-[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]phenol is Cc1cc(/C=C/c2ccc(N3CCCC3)cc2)cc(F)c1O.
What is the InChIKey of 2-fluoro-6-methyl-4-[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]phenol?
The InChIKey is NTRRFUSYAJSIBI-SNAWJCMRSA-N. The full InChI is InChI=1S/C19H20FNO/c1-14-12-16(13-18(20)19(14)22)5-4-15-6-8-17(9-7-15)21-10-2-3-11-21/h4-9,12-13,22H,2-3,10-11H2,1H3/b5-4+.
What are the key properties of 2-fluoro-6-methyl-4-[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]phenol?
2-fluoro-6-methyl-4-[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]phenol has a molecular weight of 297.37 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methyl-4-[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]phenol is sourced from PubChem (CID 165080282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).