(E)-2-[4-[4-[(E)-3-oxoprop-1-enyl]phenoxy]phenyl]-3-pyridin-3-ylprop-2-enal

C23H17NO3 — CID 89275370

IUPAC(E)-2-[4-[4-[(E)-3-oxoprop-1-enyl]phenoxy]phenyl]-3-pyridin-3-ylprop-2-enal
SMILESO=C/C=C/c1ccc(Oc2ccc(/C(C=O)=C\c3cccnc3)cc2)cc1
InChIInChI=1S/C23H17NO3/c25-14-2-4-18-5-9-22(10-6-18)27-23-11-7-20(8-12-23)21(17-26)15-19-3-1-13-24-16-19/h1-17H/b4-2+,21-15-
InChIKeyPSWYDAFQOGQINO-FBPLQJCWSA-N
MW355.39 g/mol
LogP4.83
Rot. Bonds7

About (E)-2-[4-[4-[(E)-3-oxoprop-1-enyl]phenoxy]phenyl]-3-pyridin-3-ylprop-2-enal

(E)-2-[4-[4-[(E)-3-oxoprop-1-enyl]phenoxy]phenyl]-3-pyridin-3-ylprop-2-enal (PubChem CID 89275370) has the molecular formula C23H17NO3 and a molecular weight of 355.39 g/mol. Its IUPAC name is (E)-2-[4-[4-[(E)-3-oxoprop-1-enyl]phenoxy]phenyl]-3-pyridin-3-ylprop-2-enal.

Molecular Properties

Compound Name(E)-2-[4-[4-[(E)-3-oxoprop-1-enyl]phenoxy]phenyl]-3-pyridin-3-ylprop-2-enal
PubChem CID89275370
Molecular FormulaC23H17NO3
Molecular Weight355.39 g/mol
Exact Mass355.12
IUPAC Name(E)-2-[4-[4-[(E)-3-oxoprop-1-enyl]phenoxy]phenyl]-3-pyridin-3-ylprop-2-enal
SMILESO=C/C=C/c1ccc(Oc2ccc(/C(C=O)=C\c3cccnc3)cc2)cc1
InChIInChI=1S/C23H17NO3/c25-14-2-4-18-5-9-22(10-6-18)27-23-11-7-20(8-12-23)21(17-26)15-19-3-1-13-24-16-19/h1-17H/b4-2+,21-15-
InChIKeyPSWYDAFQOGQINO-FBPLQJCWSA-N
XLogP4.83
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-(4-methoxyphenyl)-3-pyridin-3-ylprop-2-enal
CID 134965441
(Z)-2-methoxy-3-pyridin-3-ylprop-2-enal
CID 102492010
2-[4-[4-[3-(carbamoylamino)-3-oxoprop-1-enyl]phenoxy]phenyl]-N,N-dimethyl-3-pyridin-3-ylprop-2-enamide
CID 69130272
(Z)-2-(4-methoxyphenyl)-3-phenylprop-2-enal
CID 21283706
ethyl (E)-3-(4-pyridin-3-yloxyphenyl)prop-2-enoate
CID 86741940
(E)-1-[4-(difluoromethoxy)phenyl]-3-pyridin-3-ylprop-2-en-1-one
CID 19542807
4-pyridin-3-yloxybenzoic acid
CID 22261667
3-(4-phenylbuta-1,3-dienyl)pyridine
CID 71359861
(E)-1-(4-phenoxyphenyl)-3-phenylprop-2-en-1-one
CID 5355679
(E)-3-[4-[(E)-3-oxo-3-(4-phenoxyphenyl)prop-1-enyl]phenyl]-1-(4-phenoxyphenyl)prop-2-en-1-one
CID 171358471
1-(4-pyridin-3-yloxyphenyl)ethanone
CID 3016094
3-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]pyridine
CID 122218067

Frequently Asked Questions

What is the IUPAC name of (E)-2-[4-[4-[(E)-3-oxoprop-1-enyl]phenoxy]phenyl]-3-pyridin-3-ylprop-2-enal?
The IUPAC name of (E)-2-[4-[4-[(E)-3-oxoprop-1-enyl]phenoxy]phenyl]-3-pyridin-3-ylprop-2-enal (CID 89275370) is (E)-2-[4-[4-[(E)-3-oxoprop-1-enyl]phenoxy]phenyl]-3-pyridin-3-ylprop-2-enal.
What is the SMILES notation for (E)-2-[4-[4-[(E)-3-oxoprop-1-enyl]phenoxy]phenyl]-3-pyridin-3-ylprop-2-enal?
The canonical SMILES for (E)-2-[4-[4-[(E)-3-oxoprop-1-enyl]phenoxy]phenyl]-3-pyridin-3-ylprop-2-enal is O=C/C=C/c1ccc(Oc2ccc(/C(C=O)=C\c3cccnc3)cc2)cc1.
What is the InChIKey of (E)-2-[4-[4-[(E)-3-oxoprop-1-enyl]phenoxy]phenyl]-3-pyridin-3-ylprop-2-enal?
The InChIKey is PSWYDAFQOGQINO-FBPLQJCWSA-N. The full InChI is InChI=1S/C23H17NO3/c25-14-2-4-18-5-9-22(10-6-18)27-23-11-7-20(8-12-23)21(17-26)15-19-3-1-13-24-16-19/h1-17H/b4-2+,21-15-.
What are the key properties of (E)-2-[4-[4-[(E)-3-oxoprop-1-enyl]phenoxy]phenyl]-3-pyridin-3-ylprop-2-enal?
(E)-2-[4-[4-[(E)-3-oxoprop-1-enyl]phenoxy]phenyl]-3-pyridin-3-ylprop-2-enal has a molecular weight of 355.39 g/mol, XLogP of 4.83, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[4-[4-[(E)-3-oxoprop-1-enyl]phenoxy]phenyl]-3-pyridin-3-ylprop-2-enal is sourced from PubChem (CID 89275370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).