(Z)-4,5-diphenylpent-4-enal

C17H16O — CID 102069655

IUPAC(Z)-4,5-diphenylpent-4-enal
SMILESO=CCC/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C17H16O/c18-13-7-12-17(16-10-5-2-6-11-16)14-15-8-3-1-4-9-15/h1-6,8-11,13-14H,7,12H2/b17-14-
InChIKeyMWGNYFUOTJMAHE-VKAVYKQESA-N
MW236.31 g/mol
LogP4.21
Rot. Bonds5

About (Z)-4,5-diphenylpent-4-enal

(Z)-4,5-diphenylpent-4-enal (PubChem CID 102069655) has the molecular formula C17H16O and a molecular weight of 236.31 g/mol. Its IUPAC name is (Z)-4,5-diphenylpent-4-enal.

Molecular Properties

Compound Name(Z)-4,5-diphenylpent-4-enal
PubChem CID102069655
Molecular FormulaC17H16O
Molecular Weight236.31 g/mol
Exact Mass236.12
IUPAC Name(Z)-4,5-diphenylpent-4-enal
SMILESO=CCC/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C17H16O/c18-13-7-12-17(16-10-5-2-6-11-16)14-15-8-3-1-4-9-15/h1-6,8-11,13-14H,7,12H2/b17-14-
InChIKeyMWGNYFUOTJMAHE-VKAVYKQESA-N
XLogP4.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(E)-1-phenylhex-1-en-2-yl]benzene
CID 11791205
[(1Z)-5-methyl-1-phenylhexa-1,5-dien-2-yl]benzene
CID 177384846
2,3-diphenylprop-2-enylsulfamic acid
CID 174655398
N-[(E)-2,3-diphenylprop-2-enyl]-N-methylformamide
CID 101473048
(E)-3,4-diphenylbut-3-enethial
CID 87918444
1-bromo-4-[(1Z,6Z)-7-(4-bromophenyl)-2,6-diphenylhepta-1,6-dienyl]benzene
CID 101013816
1-(4-chloro-2-phenylbut-1-enyl)-4-fluorobenzene
CID 152586200
N-[(E)-2,3-diphenylprop-2-enyl]aniline
CID 101023407
2-[(E)-1,4,5-triphenylpent-4-enyl]propanedinitrile
CID 101201444
1-fluoro-4-[(E)-1-phenylhex-1-en-2-yl]benzene
CID 72736917
4-[methyl(diphenyl)silyl]-4-oxobutanal
CID 10333988
2-[(E)-2,3-diphenylprop-2-enoxy]ethanol
CID 67713880

Frequently Asked Questions

What is the IUPAC name of (Z)-4,5-diphenylpent-4-enal?
The IUPAC name of (Z)-4,5-diphenylpent-4-enal (CID 102069655) is (Z)-4,5-diphenylpent-4-enal.
What is the SMILES notation for (Z)-4,5-diphenylpent-4-enal?
The canonical SMILES for (Z)-4,5-diphenylpent-4-enal is O=CCC/C(=C/c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-4,5-diphenylpent-4-enal?
The InChIKey is MWGNYFUOTJMAHE-VKAVYKQESA-N. The full InChI is InChI=1S/C17H16O/c18-13-7-12-17(16-10-5-2-6-11-16)14-15-8-3-1-4-9-15/h1-6,8-11,13-14H,7,12H2/b17-14-.
What are the key properties of (Z)-4,5-diphenylpent-4-enal?
(Z)-4,5-diphenylpent-4-enal has a molecular weight of 236.31 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4,5-diphenylpent-4-enal is sourced from PubChem (CID 102069655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).