1-(4-hydroxyphenyl)-2-(2-methoxy-5-thiophen-2-ylphenyl)prop-2-en-1-one

C20H16O3S — CID 58615699

IUPAC1-(4-hydroxyphenyl)-2-(2-methoxy-5-thiophen-2-ylphenyl)prop-2-en-1-one
SMILESC=C(C(=O)c1ccc(O)cc1)c1cc(-c2cccs2)ccc1OC
InChIInChI=1S/C20H16O3S/c1-13(20(22)14-5-8-16(21)9-6-14)17-12-15(7-10-18(17)23-2)19-4-3-11-24-19/h3-12,21H,1H2,2H3
InChIKeyKMRXZKPEKQOYAE-UHFFFAOYSA-N
MW336.41 g/mol
LogP5.03
Rot. Bonds5

About 1-(4-hydroxyphenyl)-2-(2-methoxy-5-thiophen-2-ylphenyl)prop-2-en-1-one

1-(4-hydroxyphenyl)-2-(2-methoxy-5-thiophen-2-ylphenyl)prop-2-en-1-one (PubChem CID 58615699) has the molecular formula C20H16O3S and a molecular weight of 336.41 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-2-(2-methoxy-5-thiophen-2-ylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-2-(2-methoxy-5-thiophen-2-ylphenyl)prop-2-en-1-one
PubChem CID58615699
Molecular FormulaC20H16O3S
Molecular Weight336.41 g/mol
Exact Mass336.08
IUPAC Name1-(4-hydroxyphenyl)-2-(2-methoxy-5-thiophen-2-ylphenyl)prop-2-en-1-one
SMILESC=C(C(=O)c1ccc(O)cc1)c1cc(-c2cccs2)ccc1OC
InChIInChI=1S/C20H16O3S/c1-13(20(22)14-5-8-16(21)9-6-14)17-12-15(7-10-18(17)23-2)19-4-3-11-24-19/h3-12,21H,1H2,2H3
InChIKeyKMRXZKPEKQOYAE-UHFFFAOYSA-N
XLogP5.03
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.41
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-(2-methoxy-5-thiophen-2-ylphenyl)prop-2-enoyl]phenyl]-2-methylpropanamide
CID 11575012
N-(3,4-dimethoxyphenyl)-4-thiophen-2-ylbenzamide
CID 1483506
1-(2,6-dichlorophenyl)-2-(2-methoxy-5-thiophen-2-ylphenyl)ethanone
CID 58615731
3-(2,6-dichlorophenyl)-2-(2-methoxy-5-thiophen-2-ylphenyl)prop-2-enal
CID 73007166
3-(4-tert-butylphenyl)-2-(2-methoxy-5-thiophen-2-ylphenyl)prop-1-en-1-one
CID 87941456
2-(2-methoxy-5-thiophen-2-ylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enal
CID 73038528
N-(2-amino-5-thiophen-2-ylphenyl)-3,4-dimethoxybenzamide
CID 59736817
3,5-dimethoxy-4-thiophen-2-ylbenzoic acid
CID 16768733
N-(2-methoxyphenyl)-4-thiophen-2-ylbenzamide
CID 59673491
1-[4-[2-(2,4-dimethoxy-5-thiophen-2-ylphenyl)prop-2-enoyl]phenyl]sulfonylpiperidine-2-carboxylic acid
CID 21082457
2-methyl-5-thiophen-2-ylbenzoic acid
CID 65309680
4-(4-thiophen-2-ylphenyl)benzoic acid
CID 53472759

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-2-(2-methoxy-5-thiophen-2-ylphenyl)prop-2-en-1-one?
The IUPAC name of 1-(4-hydroxyphenyl)-2-(2-methoxy-5-thiophen-2-ylphenyl)prop-2-en-1-one (CID 58615699) is 1-(4-hydroxyphenyl)-2-(2-methoxy-5-thiophen-2-ylphenyl)prop-2-en-1-one.
What is the SMILES notation for 1-(4-hydroxyphenyl)-2-(2-methoxy-5-thiophen-2-ylphenyl)prop-2-en-1-one?
The canonical SMILES for 1-(4-hydroxyphenyl)-2-(2-methoxy-5-thiophen-2-ylphenyl)prop-2-en-1-one is C=C(C(=O)c1ccc(O)cc1)c1cc(-c2cccs2)ccc1OC.
What is the InChIKey of 1-(4-hydroxyphenyl)-2-(2-methoxy-5-thiophen-2-ylphenyl)prop-2-en-1-one?
The InChIKey is KMRXZKPEKQOYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O3S/c1-13(20(22)14-5-8-16(21)9-6-14)17-12-15(7-10-18(17)23-2)19-4-3-11-24-19/h3-12,21H,1H2,2H3.
What are the key properties of 1-(4-hydroxyphenyl)-2-(2-methoxy-5-thiophen-2-ylphenyl)prop-2-en-1-one?
1-(4-hydroxyphenyl)-2-(2-methoxy-5-thiophen-2-ylphenyl)prop-2-en-1-one has a molecular weight of 336.41 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-2-(2-methoxy-5-thiophen-2-ylphenyl)prop-2-en-1-one is sourced from PubChem (CID 58615699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).