1-(4-methoxyphenyl)-3-thiophen-3-ylprop-2-en-1-one

C14H12O2S — CID 75647170

IUPAC1-(4-methoxyphenyl)-3-thiophen-3-ylprop-2-en-1-one
SMILESCOc1ccc(C(=O)C=Cc2ccsc2)cc1
InChIInChI=1S/C14H12O2S/c1-16-13-5-3-12(4-6-13)14(15)7-2-11-8-9-17-10-11/h2-10H,1H3
InChIKeyPXPSFJVASPEOLH-UHFFFAOYSA-N
MW244.31 g/mol
LogP3.65
Rot. Bonds4

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

1-(4-methoxyphenyl)-3-thiophen-3-ylprop-2-en-1-one (PubChem CID 75647170) has the molecular formula C14H12O2S and a molecular weight of 244.31 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-thiophen-3-ylprop-2-en-1-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-thiophen-3-ylprop-2-en-1-one
PubChem CID75647170
Molecular FormulaC14H12O2S
Molecular Weight244.31 g/mol
Exact Mass244.06
IUPAC Name1-(4-methoxyphenyl)-3-thiophen-3-ylprop-2-en-1-one
SMILESCOc1ccc(C(=O)C=Cc2ccsc2)cc1
InChIInChI=1S/C14H12O2S/c1-16-13-5-3-12(4-6-13)14(15)7-2-11-8-9-17-10-11/h2-10H,1H3
InChIKeyPXPSFJVASPEOLH-UHFFFAOYSA-N
XLogP3.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 53.65
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)-1-phenyl-3-thiophen-3-ylprop-2-en-1-one
CID 54608846
1-(3-fluoro-4-methoxyphenyl)-3-thiophen-3-ylprop-2-en-1-one
CID 75853663
4-[3-(4-methoxyphenyl)prop-2-enoyl]benzaldehyde
CID 150176729
1-(3-methoxy-4-methylsulfanylphenyl)-3-thiophen-3-ylprop-2-en-1-one
CID 78905959
(E)-3-(5-bromothiophen-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 39051044
methyl 4-[3-(4-methoxyphenyl)-3-oxoprop-1-enyl]benzoate
CID 2844299
(E)-1-(4-bromophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 5357659
2-[2-methoxy-4-[(E)-3-thiophen-3-ylprop-2-enoyl]phenoxy]acetic acid
CID 9448715
(Z)-3-(3-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 92913082
methyl (Z)-3-thiophen-3-ylprop-2-enoate
CID 35026955
(E)-3-(3-bromo-4-hydroxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 9067365
1-(4-methoxyphenyl)-3-[3-(4-methoxyphenyl)-3-oxoprop-1-enyl]sulfanylprop-2-en-1-one
CID 2825443

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-thiophen-3-ylprop-2-en-1-one?
The IUPAC name of 1-(4-methoxyphenyl)-3-thiophen-3-ylprop-2-en-1-one (CID 75647170) is 1-(4-methoxyphenyl)-3-thiophen-3-ylprop-2-en-1-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-thiophen-3-ylprop-2-en-1-one?
The canonical SMILES for 1-(4-methoxyphenyl)-3-thiophen-3-ylprop-2-en-1-one is COc1ccc(C(=O)C=Cc2ccsc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-thiophen-3-ylprop-2-en-1-one?
The InChIKey is PXPSFJVASPEOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2S/c1-16-13-5-3-12(4-6-13)14(15)7-2-11-8-9-17-10-11/h2-10H,1H3.
What are the key properties of 1-(4-methoxyphenyl)-3-thiophen-3-ylprop-2-en-1-one?
1-(4-methoxyphenyl)-3-thiophen-3-ylprop-2-en-1-one has a molecular weight of 244.31 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-thiophen-3-ylprop-2-en-1-one is sourced from PubChem (CID 75647170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).