(E,2S)-3,4-diphenylbut-3-en-2-ol

C16H16O — CID 177489258

IUPAC(E,2S)-3,4-diphenylbut-3-en-2-ol
SMILESC[C@H](O)/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16O/c1-13(17)16(15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2-13,17H,1H3/b16-12-/t13-/m0/s1
InChIKeyHGYJGUOPUPEEKY-WIOAZZGGSA-N
MW224.30 g/mol
LogP3.61
Rot. Bonds3

About (E,2S)-3,4-diphenylbut-3-en-2-ol

(E,2S)-3,4-diphenylbut-3-en-2-ol (PubChem CID 177489258) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is (E,2S)-3,4-diphenylbut-3-en-2-ol.

Molecular Properties

Compound Name(E,2S)-3,4-diphenylbut-3-en-2-ol
PubChem CID177489258
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name(E,2S)-3,4-diphenylbut-3-en-2-ol
SMILESC[C@H](O)/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16O/c1-13(17)16(15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2-13,17H,1H3/b16-12-/t13-/m0/s1
InChIKeyHGYJGUOPUPEEKY-WIOAZZGGSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3,3-dichloro-1-phenylprop-1-en-2-yl)benzene
CID 66605972
4-[(E)-3-methyl-2-phenylbut-1-enyl]aniline
CID 173482335
1,2,3-triphenylprop-2-en-1-amine
CID 173348999
(3E)-3-benzylidenepentan-2-ol
CID 135080947
(1E)-1-(4-chlorophenyl)-2-phenylpenta-1,4-dien-3-ol
CID 135241983
(1Z)-4-methyl-1-(4-methylphenyl)-2-phenylpenta-1,4-dien-3-ol
CID 142404372
(Z)-3,4-diphenylhex-3-ene-2,5-diol
CID 11346209
1,3,4-triphenylbut-1-en-2-ylbenzene
CID 71421152
4-methyl-1,2-diphenylpent-1-en-3-one
CID 54502058
[(1Z,3Z)-5-methyl-1-phenylhexa-1,3-dien-2-yl]benzene
CID 10901004
(E)-3,4-dimethyl-5-phenylpent-4-en-2-ol
CID 13214341
4-methyl-3-phenylpent-2-enal
CID 86256900

Frequently Asked Questions

What is the IUPAC name of (E,2S)-3,4-diphenylbut-3-en-2-ol?
The IUPAC name of (E,2S)-3,4-diphenylbut-3-en-2-ol (CID 177489258) is (E,2S)-3,4-diphenylbut-3-en-2-ol.
What is the SMILES notation for (E,2S)-3,4-diphenylbut-3-en-2-ol?
The canonical SMILES for (E,2S)-3,4-diphenylbut-3-en-2-ol is C[C@H](O)/C(=C/c1ccccc1)c1ccccc1.
What is the InChIKey of (E,2S)-3,4-diphenylbut-3-en-2-ol?
The InChIKey is HGYJGUOPUPEEKY-WIOAZZGGSA-N. The full InChI is InChI=1S/C16H16O/c1-13(17)16(15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2-13,17H,1H3/b16-12-/t13-/m0/s1.
What are the key properties of (E,2S)-3,4-diphenylbut-3-en-2-ol?
(E,2S)-3,4-diphenylbut-3-en-2-ol has a molecular weight of 224.30 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S)-3,4-diphenylbut-3-en-2-ol is sourced from PubChem (CID 177489258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).