(Z)-3,4-diphenylhex-3-ene-2,5-diol

C18H20O2 — CID 11346209

IUPAC(Z)-3,4-diphenylhex-3-ene-2,5-diol
SMILESCC(O)/C(=C(/c1ccccc1)C(C)O)c1ccccc1
InChIInChI=1S/C18H20O2/c1-13(19)17(15-9-5-3-6-10-15)18(14(2)20)16-11-7-4-8-12-16/h3-14,19-20H,1-2H3/b18-17-
InChIKeyJIWTUKZGVUFZJO-ZCXUNETKSA-N
MW268.36 g/mol
LogP3.36
Rot. Bonds4

About (Z)-3,4-diphenylhex-3-ene-2,5-diol

(Z)-3,4-diphenylhex-3-ene-2,5-diol (PubChem CID 11346209) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is (Z)-3,4-diphenylhex-3-ene-2,5-diol.

Molecular Properties

Compound Name(Z)-3,4-diphenylhex-3-ene-2,5-diol
PubChem CID11346209
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name(Z)-3,4-diphenylhex-3-ene-2,5-diol
SMILESCC(O)/C(=C(/c1ccccc1)C(C)O)c1ccccc1
InChIInChI=1S/C18H20O2/c1-13(19)17(15-9-5-3-6-10-15)18(14(2)20)16-11-7-4-8-12-16/h3-14,19-20H,1-2H3/b18-17-
InChIKeyJIWTUKZGVUFZJO-ZCXUNETKSA-N
XLogP3.36
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxybutan-2-one;1-phenylethanone
CID 70281576
2-(2-methyl-1-phenylpropylidene)propanedioic acid
CID 90121781
butane-2,3-diol;diphenylmethanone
CID 175235923
(E,2S)-3,4-diphenylbut-3-en-2-ol
CID 177489258
dialuminum;tris(2-hydroxypropanoate);tribenzoate
CID 70022371
2-amino-1-phenylpropane-1-thione
CID 175332541
4-[1-(4-hydroxyphenyl)-3-methyl-2-phenylbut-1-enyl]phenol
CID 11232780
[(E)-1-bromo-2,3-diphenylbut-1-enyl]benzene
CID 177475796
1-hydroxyethyl(triphenyl)phosphanium chloride
CID 22164733
diphenylmethanimine;ethane
CID 145102767
(1S)-1-phenylethanol
CID 157125626
benzoic acid;butane-1,3-diol
CID 66626965

Frequently Asked Questions

What is the IUPAC name of (Z)-3,4-diphenylhex-3-ene-2,5-diol?
The IUPAC name of (Z)-3,4-diphenylhex-3-ene-2,5-diol (CID 11346209) is (Z)-3,4-diphenylhex-3-ene-2,5-diol.
What is the SMILES notation for (Z)-3,4-diphenylhex-3-ene-2,5-diol?
The canonical SMILES for (Z)-3,4-diphenylhex-3-ene-2,5-diol is CC(O)/C(=C(/c1ccccc1)C(C)O)c1ccccc1.
What is the InChIKey of (Z)-3,4-diphenylhex-3-ene-2,5-diol?
The InChIKey is JIWTUKZGVUFZJO-ZCXUNETKSA-N. The full InChI is InChI=1S/C18H20O2/c1-13(19)17(15-9-5-3-6-10-15)18(14(2)20)16-11-7-4-8-12-16/h3-14,19-20H,1-2H3/b18-17-.
What are the key properties of (Z)-3,4-diphenylhex-3-ene-2,5-diol?
(Z)-3,4-diphenylhex-3-ene-2,5-diol has a molecular weight of 268.36 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3,4-diphenylhex-3-ene-2,5-diol is sourced from PubChem (CID 11346209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).