(E)-3,4-diphenylbut-3-enethial

C16H14S — CID 87918444

IUPAC(E)-3,4-diphenylbut-3-enethial
SMILESS=CC/C(=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C16H14S/c17-12-11-16(15-9-5-2-6-10-15)13-14-7-3-1-4-8-14/h1-10,12-13H,11H2/b16-13+
InChIKeyNJCKVCXRWUJPOM-DTQAZKPQSA-N
MW238.36 g/mol
LogP4.62
Rot. Bonds4

About (E)-3,4-diphenylbut-3-enethial

(E)-3,4-diphenylbut-3-enethial (PubChem CID 87918444) has the molecular formula C16H14S and a molecular weight of 238.36 g/mol. Its IUPAC name is (E)-3,4-diphenylbut-3-enethial.

Molecular Properties

Compound Name(E)-3,4-diphenylbut-3-enethial
PubChem CID87918444
Molecular FormulaC16H14S
Molecular Weight238.36 g/mol
Exact Mass238.08
IUPAC Name(E)-3,4-diphenylbut-3-enethial
SMILESS=CC/C(=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C16H14S/c17-12-11-16(15-9-5-2-6-10-15)13-14-7-3-1-4-8-14/h1-10,12-13H,11H2/b16-13+
InChIKeyNJCKVCXRWUJPOM-DTQAZKPQSA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

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CID 11791205
3-(1-phenylbut-1-en-2-yl)phenol
CID 91153074
[(1Z)-5-methyl-1-phenylhexa-1,5-dien-2-yl]benzene
CID 177384846
2-[(E)-2,3-diphenylprop-2-enoxy]ethanol
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2,3-diphenylprop-2-enylsulfamic acid
CID 174655398
(E)-2,3-diphenyl-N-propan-2-ylprop-2-en-1-amine
CID 11402493
1-[(Z)-2,3-diphenylprop-2-enyl]pyrrolidine
CID 11334542
CID 173126547
CID 173126547
N-[(E)-2,3-diphenylprop-2-enyl]-N-methylformamide
CID 101473048
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CID 71219212

Frequently Asked Questions

What is the IUPAC name of (E)-3,4-diphenylbut-3-enethial?
The IUPAC name of (E)-3,4-diphenylbut-3-enethial (CID 87918444) is (E)-3,4-diphenylbut-3-enethial.
What is the SMILES notation for (E)-3,4-diphenylbut-3-enethial?
The canonical SMILES for (E)-3,4-diphenylbut-3-enethial is S=CC/C(=C\c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-3,4-diphenylbut-3-enethial?
The InChIKey is NJCKVCXRWUJPOM-DTQAZKPQSA-N. The full InChI is InChI=1S/C16H14S/c17-12-11-16(15-9-5-2-6-10-15)13-14-7-3-1-4-8-14/h1-10,12-13H,11H2/b16-13+.
What are the key properties of (E)-3,4-diphenylbut-3-enethial?
(E)-3,4-diphenylbut-3-enethial has a molecular weight of 238.36 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,4-diphenylbut-3-enethial is sourced from PubChem (CID 87918444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).