(E,1S)-4-fluoro-1-phenylbut-3-en-1-ol

C10H11FO — CID 124567652

IUPAC(E,1S)-4-fluoro-1-phenylbut-3-en-1-ol
SMILESO[C@@H](C/C=C/F)c1ccccc1
InChIInChI=1S/C10H11FO/c11-8-4-7-10(12)9-5-2-1-3-6-9/h1-6,8,10,12H,7H2/b8-4+/t10-/m0/s1
InChIKeyJXYWJCDVAZIZOE-GOJXHPMJSA-N
MW166.19 g/mol
LogP2.59
Rot. Bonds3

About (E,1S)-4-fluoro-1-phenylbut-3-en-1-ol

(E,1S)-4-fluoro-1-phenylbut-3-en-1-ol (PubChem CID 124567652) has the molecular formula C10H11FO and a molecular weight of 166.19 g/mol. Its IUPAC name is (E,1S)-4-fluoro-1-phenylbut-3-en-1-ol.

Molecular Properties

Compound Name(E,1S)-4-fluoro-1-phenylbut-3-en-1-ol
PubChem CID124567652
Molecular FormulaC10H11FO
Molecular Weight166.19 g/mol
Exact Mass166.08
IUPAC Name(E,1S)-4-fluoro-1-phenylbut-3-en-1-ol
SMILESO[C@@H](C/C=C/F)c1ccccc1
InChIInChI=1S/C10H11FO/c11-8-4-7-10(12)9-5-2-1-3-6-9/h1-6,8,10,12H,7H2/b8-4+/t10-/m0/s1
InChIKeyJXYWJCDVAZIZOE-GOJXHPMJSA-N
XLogP2.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.19
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-4-chloro-1-phenylbut-3-en-1-ol
CID 11240835
(Z,1S,6R)-1-phenylhept-3-ene-1,6-diol
CID 135057186
[(E)-1,4-difluorobut-3-enyl]benzene
CID 132568387
(E)-1,5-diphenylpent-3-en-1-ol
CID 11230156
(3S)-3-hydroxy-3-phenylpropanal
CID 13061659
(E)-1-phenyl-4-phenylsulfanylbut-3-en-1-ol
CID 12653805
(Z)-4-ethoxy-1-phenylbut-3-en-1-ol
CID 44889759
4-ethoxy-1-phenylbut-3-en-1-ol
CID 4552736
(3E,6E)-7-(4-methylphenyl)-1-phenylhepta-3,6-dien-1-ol
CID 162404587
(Z,1R,5R)-1-phenyldec-3-ene-1,5-diol
CID 134895948
bis(1,3-diphenylpropane-1,3-diol);nickel
CID 5232029
(E)-1-(4-chlorophenyl)-4-phenylbut-3-en-1-ol
CID 10729956

Frequently Asked Questions

What is the IUPAC name of (E,1S)-4-fluoro-1-phenylbut-3-en-1-ol?
The IUPAC name of (E,1S)-4-fluoro-1-phenylbut-3-en-1-ol (CID 124567652) is (E,1S)-4-fluoro-1-phenylbut-3-en-1-ol.
What is the SMILES notation for (E,1S)-4-fluoro-1-phenylbut-3-en-1-ol?
The canonical SMILES for (E,1S)-4-fluoro-1-phenylbut-3-en-1-ol is O[C@@H](C/C=C/F)c1ccccc1.
What is the InChIKey of (E,1S)-4-fluoro-1-phenylbut-3-en-1-ol?
The InChIKey is JXYWJCDVAZIZOE-GOJXHPMJSA-N. The full InChI is InChI=1S/C10H11FO/c11-8-4-7-10(12)9-5-2-1-3-6-9/h1-6,8,10,12H,7H2/b8-4+/t10-/m0/s1.
What are the key properties of (E,1S)-4-fluoro-1-phenylbut-3-en-1-ol?
(E,1S)-4-fluoro-1-phenylbut-3-en-1-ol has a molecular weight of 166.19 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,1S)-4-fluoro-1-phenylbut-3-en-1-ol is sourced from PubChem (CID 124567652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).