(E)-3-[4-hydroxy-3-[4-methoxy-3-[(E)-3-oxoprop-1-enyl]phenyl]phenyl]prop-2-enal

C19H16O4 — CID 23634517

IUPAC(E)-3-[4-hydroxy-3-[4-methoxy-3-[(E)-3-oxoprop-1-enyl]phenyl]phenyl]prop-2-enal
SMILESCOc1ccc(-c2cc(/C=C/C=O)ccc2O)cc1/C=C/C=O
InChIInChI=1S/C19H16O4/c1-23-19-9-7-15(13-16(19)5-3-11-21)17-12-14(4-2-10-20)6-8-18(17)22/h2-13,22H,1H3/b4-2+,5-3+
InChIKeyNGLPNRNIJGIQJU-ZUVMSYQZSA-N
MW308.33 g/mol
LogP3.49
Rot. Bonds6

About (E)-3-[4-hydroxy-3-[4-methoxy-3-[(E)-3-oxoprop-1-enyl]phenyl]phenyl]prop-2-enal

(E)-3-[4-hydroxy-3-[4-methoxy-3-[(E)-3-oxoprop-1-enyl]phenyl]phenyl]prop-2-enal (PubChem CID 23634517) has the molecular formula C19H16O4 and a molecular weight of 308.33 g/mol. Its IUPAC name is (E)-3-[4-hydroxy-3-[4-methoxy-3-[(E)-3-oxoprop-1-enyl]phenyl]phenyl]prop-2-enal.

Molecular Properties

Compound Name(E)-3-[4-hydroxy-3-[4-methoxy-3-[(E)-3-oxoprop-1-enyl]phenyl]phenyl]prop-2-enal
PubChem CID23634517
Molecular FormulaC19H16O4
Molecular Weight308.33 g/mol
Exact Mass308.10
IUPAC Name(E)-3-[4-hydroxy-3-[4-methoxy-3-[(E)-3-oxoprop-1-enyl]phenyl]phenyl]prop-2-enal
SMILESCOc1ccc(-c2cc(/C=C/C=O)ccc2O)cc1/C=C/C=O
InChIInChI=1S/C19H16O4/c1-23-19-9-7-15(13-16(19)5-3-11-21)17-12-14(4-2-10-20)6-8-18(17)22/h2-13,22H,1H3/b4-2+,5-3+
InChIKeyNGLPNRNIJGIQJU-ZUVMSYQZSA-N
XLogP3.49
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 53.49
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-hydroxy-3-[4-methoxy-3-[(E)-3-oxoprop-1-enyl]phenyl]phenyl]prop-2-enal?
The IUPAC name of (E)-3-[4-hydroxy-3-[4-methoxy-3-[(E)-3-oxoprop-1-enyl]phenyl]phenyl]prop-2-enal (CID 23634517) is (E)-3-[4-hydroxy-3-[4-methoxy-3-[(E)-3-oxoprop-1-enyl]phenyl]phenyl]prop-2-enal.
What is the SMILES notation for (E)-3-[4-hydroxy-3-[4-methoxy-3-[(E)-3-oxoprop-1-enyl]phenyl]phenyl]prop-2-enal?
The canonical SMILES for (E)-3-[4-hydroxy-3-[4-methoxy-3-[(E)-3-oxoprop-1-enyl]phenyl]phenyl]prop-2-enal is COc1ccc(-c2cc(/C=C/C=O)ccc2O)cc1/C=C/C=O.
What is the InChIKey of (E)-3-[4-hydroxy-3-[4-methoxy-3-[(E)-3-oxoprop-1-enyl]phenyl]phenyl]prop-2-enal?
The InChIKey is NGLPNRNIJGIQJU-ZUVMSYQZSA-N. The full InChI is InChI=1S/C19H16O4/c1-23-19-9-7-15(13-16(19)5-3-11-21)17-12-14(4-2-10-20)6-8-18(17)22/h2-13,22H,1H3/b4-2+,5-3+.
What are the key properties of (E)-3-[4-hydroxy-3-[4-methoxy-3-[(E)-3-oxoprop-1-enyl]phenyl]phenyl]prop-2-enal?
(E)-3-[4-hydroxy-3-[4-methoxy-3-[(E)-3-oxoprop-1-enyl]phenyl]phenyl]prop-2-enal has a molecular weight of 308.33 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-hydroxy-3-[4-methoxy-3-[(E)-3-oxoprop-1-enyl]phenyl]phenyl]prop-2-enal is sourced from PubChem (CID 23634517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).