1-(2,4-dimethoxyphenyl)-3-thiophen-2-ylprop-2-en-1-one

C15H14O3S — CID 2778338

IUPAC1-(2,4-dimethoxyphenyl)-3-thiophen-2-ylprop-2-en-1-one
SMILESCOc1ccc(C(=O)C=Cc2cccs2)c(OC)c1
InChIInChI=1S/C15H14O3S/c1-17-11-5-7-13(15(10-11)18-2)14(16)8-6-12-4-3-9-19-12/h3-10H,1-2H3
InChIKeyAVXJZBXDALNTAB-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.66
Rot. Bonds5

About 1-(2,4-dimethoxyphenyl)-3-thiophen-2-ylprop-2-en-1-one

1-(2,4-dimethoxyphenyl)-3-thiophen-2-ylprop-2-en-1-one (PubChem CID 2778338) has the molecular formula C15H14O3S and a molecular weight of 274.34 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-3-thiophen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-3-thiophen-2-ylprop-2-en-1-one
PubChem CID2778338
Molecular FormulaC15H14O3S
Molecular Weight274.34 g/mol
Exact Mass274.07
IUPAC Name1-(2,4-dimethoxyphenyl)-3-thiophen-2-ylprop-2-en-1-one
SMILESCOc1ccc(C(=O)C=Cc2cccs2)c(OC)c1
InChIInChI=1S/C15H14O3S/c1-17-11-5-7-13(15(10-11)18-2)14(16)8-6-12-4-3-9-19-12/h3-10H,1-2H3
InChIKeyAVXJZBXDALNTAB-UHFFFAOYSA-N
XLogP3.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-(6-methoxynaphthalen-2-yl)-3-thiophen-2-ylprop-2-en-1-one
CID 92909536
1-(2,4-dimethoxyphenyl)-3-[3-[3-(2,4-dimethoxyphenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 4203282
(E)-1-(2,4-dimethoxyphenyl)-3-[3-[(E)-3-(2,4-dimethoxyphenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 6035620
1-(2,4-dimethoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
CID 69051242
(E)-1-(2,4-dimethoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one
CID 7514790
(E)-1-(2,4-dimethoxyphenyl)-3-(2,5-dimethoxyphenyl)prop-2-en-1-one
CID 5332328
[3,5-dimethoxy-2-(3-thiophen-2-ylprop-2-enoyl)phenyl] dihydrogen phosphate
CID 54276573
(E)-3-(2,6-difluorophenyl)-1-(2,4-dimethoxyphenyl)prop-2-en-1-one
CID 17391329
(Z)-3-(2,6-dichlorophenyl)-1-(2,4-dimethoxyphenyl)prop-2-en-1-one
CID 92909351
(E)-1-(2,4-dimethoxyphenyl)-3-pyridin-4-ylprop-2-en-1-one;hydrochloride
CID 6446753
(4-methoxyphenyl) (E)-3-thiophen-2-ylprop-2-enoate
CID 137442894
(E)-3-(5-bromothiophen-3-yl)-1-(2,4-dimethoxyphenyl)prop-2-en-1-one
CID 39051007

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-3-thiophen-2-ylprop-2-en-1-one?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-3-thiophen-2-ylprop-2-en-1-one (CID 2778338) is 1-(2,4-dimethoxyphenyl)-3-thiophen-2-ylprop-2-en-1-one.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-3-thiophen-2-ylprop-2-en-1-one?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-3-thiophen-2-ylprop-2-en-1-one is COc1ccc(C(=O)C=Cc2cccs2)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-3-thiophen-2-ylprop-2-en-1-one?
The InChIKey is AVXJZBXDALNTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3S/c1-17-11-5-7-13(15(10-11)18-2)14(16)8-6-12-4-3-9-19-12/h3-10H,1-2H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-3-thiophen-2-ylprop-2-en-1-one?
1-(2,4-dimethoxyphenyl)-3-thiophen-2-ylprop-2-en-1-one has a molecular weight of 274.34 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-3-thiophen-2-ylprop-2-en-1-one is sourced from PubChem (CID 2778338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).