(E)-2,4-bis(4-methoxyphenyl)but-2-enal

C18H18O3 — CID 10493156

IUPAC(E)-2,4-bis(4-methoxyphenyl)but-2-enal
SMILESCOc1ccc(C/C=C(/C=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H18O3/c1-20-17-9-4-14(5-10-17)3-6-16(13-19)15-7-11-18(21-2)12-8-15/h4-13H,3H2,1-2H3/b16-6-
InChIKeyZYYMDNOJPIVRJN-SOFYXZRVSA-N
MW282.34 g/mol
LogP3.53
Rot. Bonds6

About (E)-2,4-bis(4-methoxyphenyl)but-2-enal

(E)-2,4-bis(4-methoxyphenyl)but-2-enal (PubChem CID 10493156) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is (E)-2,4-bis(4-methoxyphenyl)but-2-enal.

Molecular Properties

Compound Name(E)-2,4-bis(4-methoxyphenyl)but-2-enal
PubChem CID10493156
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name(E)-2,4-bis(4-methoxyphenyl)but-2-enal
SMILESCOc1ccc(C/C=C(/C=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H18O3/c1-20-17-9-4-14(5-10-17)3-6-16(13-19)15-7-11-18(21-2)12-8-15/h4-13H,3H2,1-2H3/b16-6-
InChIKeyZYYMDNOJPIVRJN-SOFYXZRVSA-N
XLogP3.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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)-2,4-bis(4-methoxyphenyl)but-2-enal?
The IUPAC name of (E)-2,4-bis(4-methoxyphenyl)but-2-enal (CID 10493156) is (E)-2,4-bis(4-methoxyphenyl)but-2-enal.
What is the SMILES notation for (E)-2,4-bis(4-methoxyphenyl)but-2-enal?
The canonical SMILES for (E)-2,4-bis(4-methoxyphenyl)but-2-enal is COc1ccc(C/C=C(/C=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of (E)-2,4-bis(4-methoxyphenyl)but-2-enal?
The InChIKey is ZYYMDNOJPIVRJN-SOFYXZRVSA-N. The full InChI is InChI=1S/C18H18O3/c1-20-17-9-4-14(5-10-17)3-6-16(13-19)15-7-11-18(21-2)12-8-15/h4-13H,3H2,1-2H3/b16-6-.
What are the key properties of (E)-2,4-bis(4-methoxyphenyl)but-2-enal?
(E)-2,4-bis(4-methoxyphenyl)but-2-enal has a molecular weight of 282.34 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,4-bis(4-methoxyphenyl)but-2-enal is sourced from PubChem (CID 10493156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).