(E,1R,4R)-1-phenylpent-2-ene-1,4-diol

C11H14O2 — CID 131244712

IUPAC(E,1R,4R)-1-phenylpent-2-ene-1,4-diol
SMILESC[C@@H](O)/C=C/[C@@H](O)c1ccccc1
InChIInChI=1S/C11H14O2/c1-9(12)7-8-11(13)10-5-3-2-4-6-10/h2-9,11-13H,1H3/b8-7+/t9-,11-/m1/s1
InChIKeyYSSADZOOZXJLIM-FQZVFUSHSA-N
MW178.23 g/mol
LogP1.66
Rot. Bonds3

About (E,1R,4R)-1-phenylpent-2-ene-1,4-diol

(E,1R,4R)-1-phenylpent-2-ene-1,4-diol (PubChem CID 131244712) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is (E,1R,4R)-1-phenylpent-2-ene-1,4-diol.

Molecular Properties

Compound Name(E,1R,4R)-1-phenylpent-2-ene-1,4-diol
PubChem CID131244712
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name(E,1R,4R)-1-phenylpent-2-ene-1,4-diol
SMILESC[C@@H](O)/C=C/[C@@H](O)c1ccccc1
InChIInChI=1S/C11H14O2/c1-9(12)7-8-11(13)10-5-3-2-4-6-10/h2-9,11-13H,1H3/b8-7+/t9-,11-/m1/s1
InChIKeyYSSADZOOZXJLIM-FQZVFUSHSA-N
XLogP1.66
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1,4-diphenylbut-2-ene-1,4-diol
CID 12815414
(1R,4R)-4-(benzenesulfinyl)-1-phenylpent-2-en-1-ol
CID 177470262
(E)-1-phenyloct-2-en-1-ol
CID 10822082
(E,1R)-1-phenylnon-2-en-1-ol
CID 11287425
(Z,2R)-4-phenylbut-3-en-2-ol
CID 11457765
(Z)-1-phenylpent-2-en-4-yn-1-ol
CID 11008191
(1S)-1-phenylethanol
CID 157125626
(E)-3-[tert-butyl(dimethyl)silyl]-1-phenylprop-2-en-1-ol
CID 10922912
benzene;1-phenylprop-2-en-1-ol
CID 174884403
(2S)-2-hydroxy-2-phenylacetaldehyde
CID 12536674
ethyl [(Z,2S,5R)-5-hydroxy-5-phenylpent-3-en-2-yl] carbonate
CID 15348850
ethyl [(Z,2R,5S)-5-hydroxy-5-phenylpent-3-en-2-yl] carbonate
CID 10999453

Frequently Asked Questions

What is the IUPAC name of (E,1R,4R)-1-phenylpent-2-ene-1,4-diol?
The IUPAC name of (E,1R,4R)-1-phenylpent-2-ene-1,4-diol (CID 131244712) is (E,1R,4R)-1-phenylpent-2-ene-1,4-diol.
What is the SMILES notation for (E,1R,4R)-1-phenylpent-2-ene-1,4-diol?
The canonical SMILES for (E,1R,4R)-1-phenylpent-2-ene-1,4-diol is C[C@@H](O)/C=C/[C@@H](O)c1ccccc1.
What is the InChIKey of (E,1R,4R)-1-phenylpent-2-ene-1,4-diol?
The InChIKey is YSSADZOOZXJLIM-FQZVFUSHSA-N. The full InChI is InChI=1S/C11H14O2/c1-9(12)7-8-11(13)10-5-3-2-4-6-10/h2-9,11-13H,1H3/b8-7+/t9-,11-/m1/s1.
What are the key properties of (E,1R,4R)-1-phenylpent-2-ene-1,4-diol?
(E,1R,4R)-1-phenylpent-2-ene-1,4-diol has a molecular weight of 178.23 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,1R,4R)-1-phenylpent-2-ene-1,4-diol is sourced from PubChem (CID 131244712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).