3-(2-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one

C17H16O3 — CID 3292811

IUPAC3-(2-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
SMILESCOc1ccc(C(=O)C=Cc2ccccc2OC)cc1
InChIInChI=1S/C17H16O3/c1-19-15-10-7-13(8-11-15)16(18)12-9-14-5-3-4-6-17(14)20-2/h3-12H,1-2H3
InChIKeyZSXLQEAUXLJRSQ-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.60
Rot. Bonds5

About 3-(2-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one

3-(2-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one (PubChem CID 3292811) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
PubChem CID3292811
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name3-(2-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
SMILESCOc1ccc(C(=O)C=Cc2ccccc2OC)cc1
InChIInChI=1S/C17H16O3/c1-19-15-10-7-13(8-11-15)16(18)12-9-14-5-3-4-6-17(14)20-2/h3-12H,1-2H3
InChIKeyZSXLQEAUXLJRSQ-UHFFFAOYSA-N
XLogP3.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.60
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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Related Compounds

(Z)-3-(2-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 25021886
3-(2-ethoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 78787127
[4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenyl] prop-2-enoate
CID 102475466
(E)-3-(2-methoxyphenyl)-1-pyridin-4-ylprop-2-en-1-one
CID 6262995
N-[4-[3-(2-methoxyphenyl)prop-2-enoyl]phenyl]acetamide
CID 4143798
(E)-3-[2-(dimethylamino)phenyl]-1-(4-methoxyphenyl)prop-2-en-1-one
CID 6058579
4-methoxy-N'-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]benzohydrazide
CID 926990
[2-(3-oxo-3-phenylprop-1-enyl)phenyl] 2,6-dimethoxybenzoate
CID 3498257
[2-(3-oxo-3-phenylprop-1-enyl)phenyl] 2-methoxybenzoate
CID 5088439
(E)-3-(2,5-dimethoxyphenyl)-1-(4-iodophenyl)prop-2-en-1-one
CID 6048491
3-(2-methoxyphenyl)-1-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]prop-2-en-1-one
CID 176732211
(E)-1-(3-chloro-4-fluorophenyl)-3-(2-methoxyphenyl)prop-2-en-1-one
CID 47241616

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one?
The IUPAC name of 3-(2-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one (CID 3292811) is 3-(2-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for 3-(2-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one?
The canonical SMILES for 3-(2-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one is COc1ccc(C(=O)C=Cc2ccccc2OC)cc1.
What is the InChIKey of 3-(2-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one?
The InChIKey is ZSXLQEAUXLJRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-19-15-10-7-13(8-11-15)16(18)12-9-14-5-3-4-6-17(14)20-2/h3-12H,1-2H3.
What are the key properties of 3-(2-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one?
3-(2-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one has a molecular weight of 268.31 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 3292811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).