3-(4-tert-butylphenyl)-2-(2-methoxy-5-thiophen-2-ylphenyl)prop-1-en-1-one

C24H24O2S — CID 87941456

IUPAC3-(4-tert-butylphenyl)-2-(2-methoxy-5-thiophen-2-ylphenyl)prop-1-en-1-one
SMILESCOc1ccc(-c2cccs2)cc1C(=C=O)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C24H24O2S/c1-24(2,3)20-10-7-17(8-11-20)14-19(16-25)21-15-18(9-12-22(21)26-4)23-6-5-13-27-23/h5-13,15H,14H2,1-4H3
InChIKeyFRMYOZJHCAQWKW-UHFFFAOYSA-N
MW376.52 g/mol
LogP6.18
Rot. Bonds5

About 3-(4-tert-butylphenyl)-2-(2-methoxy-5-thiophen-2-ylphenyl)prop-1-en-1-one

3-(4-tert-butylphenyl)-2-(2-methoxy-5-thiophen-2-ylphenyl)prop-1-en-1-one (PubChem CID 87941456) has the molecular formula C24H24O2S and a molecular weight of 376.52 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-2-(2-methoxy-5-thiophen-2-ylphenyl)prop-1-en-1-one.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-2-(2-methoxy-5-thiophen-2-ylphenyl)prop-1-en-1-one
PubChem CID87941456
Molecular FormulaC24H24O2S
Molecular Weight376.52 g/mol
Exact Mass376.15
IUPAC Name3-(4-tert-butylphenyl)-2-(2-methoxy-5-thiophen-2-ylphenyl)prop-1-en-1-one
SMILESCOc1ccc(-c2cccs2)cc1C(=C=O)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C24H24O2S/c1-24(2,3)20-10-7-17(8-11-20)14-19(16-25)21-15-18(9-12-22(21)26-4)23-6-5-13-27-23/h5-13,15H,14H2,1-4H3
InChIKeyFRMYOZJHCAQWKW-UHFFFAOYSA-N
XLogP6.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.52
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxy-5-thiophen-2-ylphenyl)-3-[4-(pyrazin-2-ylamino)phenyl]prop-1-en-1-one
CID 87941308
2-(4-tert-butylphenyl)-1-(3-methoxythiophen-2-yl)ethanone
CID 114967861
2-(2-methoxy-5-thiophen-2-ylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enal
CID 73038528
1-(4-hydroxyphenyl)-2-(2-methoxy-5-thiophen-2-ylphenyl)prop-2-en-1-one
CID 58615699
2-[3-(4-tert-butylphenyl)phenyl]thiophene
CID 174720161
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-[2-(4-tert-butylphenyl)acetyl]-4-methoxybenzamide
CID 158812544
N-[4-[2-(2-methoxy-5-thiophen-2-ylphenyl)prop-2-enoyl]phenyl]-2-methylpropanamide
CID 11575012
3-methoxy-2-thiophen-2-ylthiophene
CID 18353954
2-(5-ethyl-2-methoxyphenyl)thiophene
CID 20651347
N-(3,4-dimethoxyphenyl)-4-thiophen-2-ylbenzamide
CID 1483506

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-2-(2-methoxy-5-thiophen-2-ylphenyl)prop-1-en-1-one?
The IUPAC name of 3-(4-tert-butylphenyl)-2-(2-methoxy-5-thiophen-2-ylphenyl)prop-1-en-1-one (CID 87941456) is 3-(4-tert-butylphenyl)-2-(2-methoxy-5-thiophen-2-ylphenyl)prop-1-en-1-one.
What is the SMILES notation for 3-(4-tert-butylphenyl)-2-(2-methoxy-5-thiophen-2-ylphenyl)prop-1-en-1-one?
The canonical SMILES for 3-(4-tert-butylphenyl)-2-(2-methoxy-5-thiophen-2-ylphenyl)prop-1-en-1-one is COc1ccc(-c2cccs2)cc1C(=C=O)Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-2-(2-methoxy-5-thiophen-2-ylphenyl)prop-1-en-1-one?
The InChIKey is FRMYOZJHCAQWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O2S/c1-24(2,3)20-10-7-17(8-11-20)14-19(16-25)21-15-18(9-12-22(21)26-4)23-6-5-13-27-23/h5-13,15H,14H2,1-4H3.
What are the key properties of 3-(4-tert-butylphenyl)-2-(2-methoxy-5-thiophen-2-ylphenyl)prop-1-en-1-one?
3-(4-tert-butylphenyl)-2-(2-methoxy-5-thiophen-2-ylphenyl)prop-1-en-1-one has a molecular weight of 376.52 g/mol, XLogP of 6.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-2-(2-methoxy-5-thiophen-2-ylphenyl)prop-1-en-1-one is sourced from PubChem (CID 87941456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).