(E)-1,3-bis(4-methoxyphenyl)-2-methylprop-2-en-1-one

C18H18O3 — CID 6447135

IUPAC(E)-1,3-bis(4-methoxyphenyl)-2-methylprop-2-en-1-one
SMILESCOc1ccc(/C=C(\C)C(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H18O3/c1-13(12-14-4-8-16(20-2)9-5-14)18(19)15-6-10-17(21-3)11-7-15/h4-12H,1-3H3/b13-12+
InChIKeyCBJPTGCDCDBCKY-OUKQBFOZSA-N
MW282.34 g/mol
LogP3.99
Rot. Bonds5

About (E)-1,3-bis(4-methoxyphenyl)-2-methylprop-2-en-1-one

(E)-1,3-bis(4-methoxyphenyl)-2-methylprop-2-en-1-one (PubChem CID 6447135) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is (E)-1,3-bis(4-methoxyphenyl)-2-methylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1,3-bis(4-methoxyphenyl)-2-methylprop-2-en-1-one
PubChem CID6447135
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name(E)-1,3-bis(4-methoxyphenyl)-2-methylprop-2-en-1-one
SMILESCOc1ccc(/C=C(\C)C(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H18O3/c1-13(12-14-4-8-16(20-2)9-5-14)18(19)15-6-10-17(21-3)11-7-15/h4-12H,1-3H3/b13-12+
InChIKeyCBJPTGCDCDBCKY-OUKQBFOZSA-N
XLogP3.99
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1,3-bis(4-methoxyphenyl)-2-methylprop-2-en-1-one?
The IUPAC name of (E)-1,3-bis(4-methoxyphenyl)-2-methylprop-2-en-1-one (CID 6447135) is (E)-1,3-bis(4-methoxyphenyl)-2-methylprop-2-en-1-one.
What is the SMILES notation for (E)-1,3-bis(4-methoxyphenyl)-2-methylprop-2-en-1-one?
The canonical SMILES for (E)-1,3-bis(4-methoxyphenyl)-2-methylprop-2-en-1-one is COc1ccc(/C=C(\C)C(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of (E)-1,3-bis(4-methoxyphenyl)-2-methylprop-2-en-1-one?
The InChIKey is CBJPTGCDCDBCKY-OUKQBFOZSA-N. The full InChI is InChI=1S/C18H18O3/c1-13(12-14-4-8-16(20-2)9-5-14)18(19)15-6-10-17(21-3)11-7-15/h4-12H,1-3H3/b13-12+.
What are the key properties of (E)-1,3-bis(4-methoxyphenyl)-2-methylprop-2-en-1-one?
(E)-1,3-bis(4-methoxyphenyl)-2-methylprop-2-en-1-one has a molecular weight of 282.34 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,3-bis(4-methoxyphenyl)-2-methylprop-2-en-1-one is sourced from PubChem (CID 6447135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).