(E)-3-[4-[(Z)-1-(4-methoxyphenyl)-2-phenylbut-1-enyl]phenyl]prop-2-enal

C26H24O2 — CID 89258153

IUPAC(E)-3-[4-[(Z)-1-(4-methoxyphenyl)-2-phenylbut-1-enyl]phenyl]prop-2-enal
SMILESCC/C(=C(\c1ccc(/C=C/C=O)cc1)c1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C26H24O2/c1-3-25(21-9-5-4-6-10-21)26(23-15-17-24(28-2)18-16-23)22-13-11-20(12-14-22)8-7-19-27/h4-19H,3H2,1-2H3/b8-7+,26-25-
InChIKeyCJPOZNIAKVULGG-QTVNLKGBSA-N
MW368.48 g/mol
LogP6.28
Rot. Bonds7

About (E)-3-[4-[(Z)-1-(4-methoxyphenyl)-2-phenylbut-1-enyl]phenyl]prop-2-enal

(E)-3-[4-[(Z)-1-(4-methoxyphenyl)-2-phenylbut-1-enyl]phenyl]prop-2-enal (PubChem CID 89258153) has the molecular formula C26H24O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is (E)-3-[4-[(Z)-1-(4-methoxyphenyl)-2-phenylbut-1-enyl]phenyl]prop-2-enal.

Molecular Properties

Compound Name(E)-3-[4-[(Z)-1-(4-methoxyphenyl)-2-phenylbut-1-enyl]phenyl]prop-2-enal
PubChem CID89258153
Molecular FormulaC26H24O2
Molecular Weight368.48 g/mol
Exact Mass368.18
IUPAC Name(E)-3-[4-[(Z)-1-(4-methoxyphenyl)-2-phenylbut-1-enyl]phenyl]prop-2-enal
SMILESCC/C(=C(\c1ccc(/C=C/C=O)cc1)c1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C26H24O2/c1-3-25(21-9-5-4-6-10-21)26(23-15-17-24(28-2)18-16-23)22-13-11-20(12-14-22)8-7-19-27/h4-19H,3H2,1-2H3/b8-7+,26-25-
InChIKeyCJPOZNIAKVULGG-QTVNLKGBSA-N
XLogP6.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 56.28
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': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1-[(Z)-1,2-diphenylbut-1-enyl]-4-methoxybenzene;ethane
CID 170597875
1-ethoxy-4-[1-(4-methoxyphenyl)-1-phenylbut-1-en-2-yl]benzene
CID 173277098
(E)-3-[4-[(E)-1,2-diphenylbut-1-enyl]phenyl]prop-2-enoic acid
CID 22144591
[4-[(Z)-1-(4-formylphenyl)-2-phenylbut-1-enyl]phenyl] propanoate
CID 86760739
4-[(E)-2-(4-formylphenyl)-2-(4-methoxyphenyl)-1-phenylethenyl]benzaldehyde
CID 102406735
(E)-3-[4-[(Z)-1-(4-benzoyloxyphenyl)-2-phenylbut-1-enyl]phenyl]prop-2-enoic acid
CID 11454316
1-(methoxymethoxy)-4-[1-[4-(methoxymethoxy)phenyl]-2-phenylbut-1-enyl]benzene
CID 138319933
(E)-3-[4-[(Z)-1-[4-(2-chloroacetyl)oxyphenyl]-2-phenylbut-1-enyl]phenyl]prop-2-enoic acid
CID 58877667
4-[1-(4-fluorophenyl)-2-phenylbut-1-enyl]benzaldehyde
CID 85433992
[3-methoxy-5-[(E)-2-(4-methoxyphenyl)-1-phenylbut-1-enyl]phenyl]boronic acid
CID 164810567
1-methoxy-4-(4-phenylbuta-1,3-dienyl)benzene
CID 4560156
(2E,4E)-5-(4-methoxyphenyl)-1-phenylpenta-2,4-dien-1-one
CID 10539553

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[(Z)-1-(4-methoxyphenyl)-2-phenylbut-1-enyl]phenyl]prop-2-enal?
The IUPAC name of (E)-3-[4-[(Z)-1-(4-methoxyphenyl)-2-phenylbut-1-enyl]phenyl]prop-2-enal (CID 89258153) is (E)-3-[4-[(Z)-1-(4-methoxyphenyl)-2-phenylbut-1-enyl]phenyl]prop-2-enal.
What is the SMILES notation for (E)-3-[4-[(Z)-1-(4-methoxyphenyl)-2-phenylbut-1-enyl]phenyl]prop-2-enal?
The canonical SMILES for (E)-3-[4-[(Z)-1-(4-methoxyphenyl)-2-phenylbut-1-enyl]phenyl]prop-2-enal is CC/C(=C(\c1ccc(/C=C/C=O)cc1)c1ccc(OC)cc1)c1ccccc1.
What is the InChIKey of (E)-3-[4-[(Z)-1-(4-methoxyphenyl)-2-phenylbut-1-enyl]phenyl]prop-2-enal?
The InChIKey is CJPOZNIAKVULGG-QTVNLKGBSA-N. The full InChI is InChI=1S/C26H24O2/c1-3-25(21-9-5-4-6-10-21)26(23-15-17-24(28-2)18-16-23)22-13-11-20(12-14-22)8-7-19-27/h4-19H,3H2,1-2H3/b8-7+,26-25-.
What are the key properties of (E)-3-[4-[(Z)-1-(4-methoxyphenyl)-2-phenylbut-1-enyl]phenyl]prop-2-enal?
(E)-3-[4-[(Z)-1-(4-methoxyphenyl)-2-phenylbut-1-enyl]phenyl]prop-2-enal has a molecular weight of 368.48 g/mol, XLogP of 6.28, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[(Z)-1-(4-methoxyphenyl)-2-phenylbut-1-enyl]phenyl]prop-2-enal is sourced from PubChem (CID 89258153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).