(2E,4E)-5-(4-fluorophenyl)-2,4-dimethylpenta-2,4-dien-1-ol

C13H15FO — CID 159457366

IUPAC(2E,4E)-5-(4-fluorophenyl)-2,4-dimethylpenta-2,4-dien-1-ol
SMILESCC(=C\c1ccc(F)cc1)/C=C(\C)CO
InChIInChI=1S/C13H15FO/c1-10(7-11(2)9-15)8-12-3-5-13(14)6-4-12/h3-8,15H,9H2,1-2H3/b10-8+,11-7+
InChIKeyARPGOAFJHWMZBQ-VTTRTIMMSA-N
MW206.26 g/mol
LogP3.17
Rot. Bonds3

About (2E,4E)-5-(4-fluorophenyl)-2,4-dimethylpenta-2,4-dien-1-ol

(2E,4E)-5-(4-fluorophenyl)-2,4-dimethylpenta-2,4-dien-1-ol (PubChem CID 159457366) has the molecular formula C13H15FO and a molecular weight of 206.26 g/mol. Its IUPAC name is (2E,4E)-5-(4-fluorophenyl)-2,4-dimethylpenta-2,4-dien-1-ol.

Molecular Properties

Compound Name(2E,4E)-5-(4-fluorophenyl)-2,4-dimethylpenta-2,4-dien-1-ol
PubChem CID159457366
Molecular FormulaC13H15FO
Molecular Weight206.26 g/mol
Exact Mass206.11
IUPAC Name(2E,4E)-5-(4-fluorophenyl)-2,4-dimethylpenta-2,4-dien-1-ol
SMILESCC(=C\c1ccc(F)cc1)/C=C(\C)CO
InChIInChI=1S/C13H15FO/c1-10(7-11(2)9-15)8-12-3-5-13(14)6-4-12/h3-8,15H,9H2,1-2H3/b10-8+,11-7+
InChIKeyARPGOAFJHWMZBQ-VTTRTIMMSA-N
XLogP3.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-1,1-dideuterio-3-(4-fluorophenyl)-2-methylprop-2-en-1-ol
CID 10866732
2-[(4-fluorophenyl)methylidene]-3-methylbutan-1-ol
CID 79335798
(E)-3-(4-chlorophenyl)-2-methylprop-2-en-1-ol
CID 12922166
methyl 3-[4-[(E)-2-(4-fluorophenyl)-3-hydroxyprop-1-enyl]phenyl]prop-2-enoate
CID 68768999
3-(4-fluorophenyl)-2-methylprop-2-enenitrile
CID 4610546
2-fluoro-4-[(Z)-3-hydroxy-2-methylprop-1-enyl]phenol
CID 107693855
1-[(E)-3-(4-fluorophenyl)-2-methylprop-2-enyl]piperazine
CID 57436140
3-(4-chloro-3-fluorophenyl)-2-methylprop-2-en-1-ol
CID 79335022
3-(3-bromo-4-fluorophenyl)-2-methylprop-2-en-1-ol
CID 79334676
(E)-2-acetamido-3-(4-fluorophenyl)prop-2-enoic acid
CID 5399285
(E)-4-(4-fluorophenyl)-3-methyl-2-oxobut-3-enoic acid
CID 57435524
(Z)-1-(4-fluorophenyl)-3,3-dimethylbut-1-en-2-ol
CID 59942455

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-(4-fluorophenyl)-2,4-dimethylpenta-2,4-dien-1-ol?
The IUPAC name of (2E,4E)-5-(4-fluorophenyl)-2,4-dimethylpenta-2,4-dien-1-ol (CID 159457366) is (2E,4E)-5-(4-fluorophenyl)-2,4-dimethylpenta-2,4-dien-1-ol.
What is the SMILES notation for (2E,4E)-5-(4-fluorophenyl)-2,4-dimethylpenta-2,4-dien-1-ol?
The canonical SMILES for (2E,4E)-5-(4-fluorophenyl)-2,4-dimethylpenta-2,4-dien-1-ol is CC(=C\c1ccc(F)cc1)/C=C(\C)CO.
What is the InChIKey of (2E,4E)-5-(4-fluorophenyl)-2,4-dimethylpenta-2,4-dien-1-ol?
The InChIKey is ARPGOAFJHWMZBQ-VTTRTIMMSA-N. The full InChI is InChI=1S/C13H15FO/c1-10(7-11(2)9-15)8-12-3-5-13(14)6-4-12/h3-8,15H,9H2,1-2H3/b10-8+,11-7+.
What are the key properties of (2E,4E)-5-(4-fluorophenyl)-2,4-dimethylpenta-2,4-dien-1-ol?
(2E,4E)-5-(4-fluorophenyl)-2,4-dimethylpenta-2,4-dien-1-ol has a molecular weight of 206.26 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-(4-fluorophenyl)-2,4-dimethylpenta-2,4-dien-1-ol is sourced from PubChem (CID 159457366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).