(E)-3-[4-[(1E,3E,5E)-6-[4-[(E)-3-oxoprop-1-enyl]phenyl]hexa-1,3,5-trienyl]phenyl]prop-2-enal

C24H20O2 — CID 10427370

IUPAC(E)-3-[4-[(1E,3E,5E)-6-[4-[(E)-3-oxoprop-1-enyl]phenyl]hexa-1,3,5-trienyl]phenyl]prop-2-enal
SMILESO=C/C=C/c1ccc(/C=C/C=C/C=C/c2ccc(/C=C/C=O)cc2)cc1
InChIInChI=1S/C24H20O2/c25-19-5-9-23-15-11-21(12-16-23)7-3-1-2-4-8-22-13-17-24(18-14-22)10-6-20-26/h1-20H/b2-1+,7-3+,8-4+,9-5+,10-6+
InChIKeyRFTFNWVDUCGSFK-OHENXXMOSA-N
MW340.42 g/mol
LogP5.39
Rot. Bonds8

About (E)-3-[4-[(1E,3E,5E)-6-[4-[(E)-3-oxoprop-1-enyl]phenyl]hexa-1,3,5-trienyl]phenyl]prop-2-enal

(E)-3-[4-[(1E,3E,5E)-6-[4-[(E)-3-oxoprop-1-enyl]phenyl]hexa-1,3,5-trienyl]phenyl]prop-2-enal (PubChem CID 10427370) has the molecular formula C24H20O2 and a molecular weight of 340.42 g/mol. Its IUPAC name is (E)-3-[4-[(1E,3E,5E)-6-[4-[(E)-3-oxoprop-1-enyl]phenyl]hexa-1,3,5-trienyl]phenyl]prop-2-enal.

Molecular Properties

Compound Name(E)-3-[4-[(1E,3E,5E)-6-[4-[(E)-3-oxoprop-1-enyl]phenyl]hexa-1,3,5-trienyl]phenyl]prop-2-enal
PubChem CID10427370
Molecular FormulaC24H20O2
Molecular Weight340.42 g/mol
Exact Mass340.15
IUPAC Name(E)-3-[4-[(1E,3E,5E)-6-[4-[(E)-3-oxoprop-1-enyl]phenyl]hexa-1,3,5-trienyl]phenyl]prop-2-enal
SMILESO=C/C=C/c1ccc(/C=C/C=C/C=C/c2ccc(/C=C/C=O)cc2)cc1
InChIInChI=1S/C24H20O2/c25-19-5-9-23-15-11-21(12-16-23)7-3-1-2-4-8-22-13-17-24(18-14-22)10-6-20-26/h1-20H/b2-1+,7-3+,8-4+,9-5+,10-6+
InChIKeyRFTFNWVDUCGSFK-OHENXXMOSA-N
XLogP5.39
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.42
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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3-(4-phosphanylphenyl)prop-2-enal
CID 142052620
(Z)-3-(4-hydroxyphenyl)prop-2-enal
CID 57400876
alumane;(E)-3-phenylprop-2-enal
CID 173462374
(2Z,4E)-5-(4-nitrophenyl)penta-2,4-dienal
CID 92856070
(Z)-3-pyridin-4-ylprop-2-enal
CID 99864035
3-[4-(aminomethyl)phenyl]prop-2-enal
CID 151004676
3-(4-isocyanatophenyl)prop-2-enal
CID 169459179
3-[4-(methoxymethyl)phenyl]prop-2-enal
CID 79330682
(E)-3-(4-anilinophenyl)prop-2-enal
CID 22717037
(E)-3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]prop-2-enal
CID 58898607

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[(1E,3E,5E)-6-[4-[(E)-3-oxoprop-1-enyl]phenyl]hexa-1,3,5-trienyl]phenyl]prop-2-enal?
The IUPAC name of (E)-3-[4-[(1E,3E,5E)-6-[4-[(E)-3-oxoprop-1-enyl]phenyl]hexa-1,3,5-trienyl]phenyl]prop-2-enal (CID 10427370) is (E)-3-[4-[(1E,3E,5E)-6-[4-[(E)-3-oxoprop-1-enyl]phenyl]hexa-1,3,5-trienyl]phenyl]prop-2-enal.
What is the SMILES notation for (E)-3-[4-[(1E,3E,5E)-6-[4-[(E)-3-oxoprop-1-enyl]phenyl]hexa-1,3,5-trienyl]phenyl]prop-2-enal?
The canonical SMILES for (E)-3-[4-[(1E,3E,5E)-6-[4-[(E)-3-oxoprop-1-enyl]phenyl]hexa-1,3,5-trienyl]phenyl]prop-2-enal is O=C/C=C/c1ccc(/C=C/C=C/C=C/c2ccc(/C=C/C=O)cc2)cc1.
What is the InChIKey of (E)-3-[4-[(1E,3E,5E)-6-[4-[(E)-3-oxoprop-1-enyl]phenyl]hexa-1,3,5-trienyl]phenyl]prop-2-enal?
The InChIKey is RFTFNWVDUCGSFK-OHENXXMOSA-N. The full InChI is InChI=1S/C24H20O2/c25-19-5-9-23-15-11-21(12-16-23)7-3-1-2-4-8-22-13-17-24(18-14-22)10-6-20-26/h1-20H/b2-1+,7-3+,8-4+,9-5+,10-6+.
What are the key properties of (E)-3-[4-[(1E,3E,5E)-6-[4-[(E)-3-oxoprop-1-enyl]phenyl]hexa-1,3,5-trienyl]phenyl]prop-2-enal?
(E)-3-[4-[(1E,3E,5E)-6-[4-[(E)-3-oxoprop-1-enyl]phenyl]hexa-1,3,5-trienyl]phenyl]prop-2-enal has a molecular weight of 340.42 g/mol, XLogP of 5.39, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[(1E,3E,5E)-6-[4-[(E)-3-oxoprop-1-enyl]phenyl]hexa-1,3,5-trienyl]phenyl]prop-2-enal is sourced from PubChem (CID 10427370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).