(Z)-1,4-diphenylbut-2-ene-1,4-diol

C16H16O2 — CID 12815414

IUPAC(Z)-1,4-diphenylbut-2-ene-1,4-diol
SMILESOC(/C=C\C(O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16O2/c17-15(13-7-3-1-4-8-13)11-12-16(18)14-9-5-2-6-10-14/h1-12,15-18H/b12-11-
InChIKeyRXFAALFDAWXYOP-QXMHVHEDSA-N
MW240.30 g/mol
LogP3.01
Rot. Bonds4

About (Z)-1,4-diphenylbut-2-ene-1,4-diol

(Z)-1,4-diphenylbut-2-ene-1,4-diol (PubChem CID 12815414) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is (Z)-1,4-diphenylbut-2-ene-1,4-diol.

Molecular Properties

Compound Name(Z)-1,4-diphenylbut-2-ene-1,4-diol
PubChem CID12815414
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name(Z)-1,4-diphenylbut-2-ene-1,4-diol
SMILESOC(/C=C\C(O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16O2/c17-15(13-7-3-1-4-8-13)11-12-16(18)14-9-5-2-6-10-14/h1-12,15-18H/b12-11-
InChIKeyRXFAALFDAWXYOP-QXMHVHEDSA-N
XLogP3.01
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.01
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

(E,1R,4R)-1-phenylpent-2-ene-1,4-diol
CID 131244712
(Z)-1-phenylpent-2-en-4-yn-1-ol
CID 11008191
(2S)-2-hydroxy-2-phenylacetaldehyde
CID 12536674
benzene;1-phenylprop-2-en-1-ol
CID 174884403
(E)-1-phenyloct-2-en-1-ol
CID 10822082
(E,1R)-1-phenylnon-2-en-1-ol
CID 11287425
(1R,4R)-4-(benzenesulfinyl)-1-phenylpent-2-en-1-ol
CID 177470262
(2E,4E)-6-hydroxy-6-phenylhexa-2,4-dienamide
CID 6449395
(E)-3-[tert-butyl(dimethyl)silyl]-1-phenylprop-2-en-1-ol
CID 10922912
(1R,4R)-1-phenyl-5-piperidin-1-ylpent-2-ene-1,4-diol
CID 177487208
1,2-diphenylethane-1,2-diol
CID 159073808
(1S)-1,2,2-triphenylethanol
CID 38988933

Frequently Asked Questions

What is the IUPAC name of (Z)-1,4-diphenylbut-2-ene-1,4-diol?
The IUPAC name of (Z)-1,4-diphenylbut-2-ene-1,4-diol (CID 12815414) is (Z)-1,4-diphenylbut-2-ene-1,4-diol.
What is the SMILES notation for (Z)-1,4-diphenylbut-2-ene-1,4-diol?
The canonical SMILES for (Z)-1,4-diphenylbut-2-ene-1,4-diol is OC(/C=C\C(O)c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-1,4-diphenylbut-2-ene-1,4-diol?
The InChIKey is RXFAALFDAWXYOP-QXMHVHEDSA-N. The full InChI is InChI=1S/C16H16O2/c17-15(13-7-3-1-4-8-13)11-12-16(18)14-9-5-2-6-10-14/h1-12,15-18H/b12-11-.
What are the key properties of (Z)-1,4-diphenylbut-2-ene-1,4-diol?
(Z)-1,4-diphenylbut-2-ene-1,4-diol has a molecular weight of 240.30 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,4-diphenylbut-2-ene-1,4-diol is sourced from PubChem (CID 12815414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).