(E)-5-(4-propan-2-ylphenyl)-5-thiophen-3-ylpent-4-enoic acid

C18H20O2S — CID 70276452

IUPAC(E)-5-(4-propan-2-ylphenyl)-5-thiophen-3-ylpent-4-enoic acid
SMILESCC(C)c1ccc(/C(=C\CCC(=O)O)c2ccsc2)cc1
InChIInChI=1S/C18H20O2S/c1-13(2)14-6-8-15(9-7-14)17(4-3-5-18(19)20)16-10-11-21-12-16/h4,6-13H,3,5H2,1-2H3,(H,19,20)/b17-4+
InChIKeyQHNUFCSKBVIERJ-HAVNEIBRSA-N
MW300.42 g/mol
LogP5.17
Rot. Bonds6

About (E)-5-(4-propan-2-ylphenyl)-5-thiophen-3-ylpent-4-enoic acid

(E)-5-(4-propan-2-ylphenyl)-5-thiophen-3-ylpent-4-enoic acid (PubChem CID 70276452) has the molecular formula C18H20O2S and a molecular weight of 300.42 g/mol. Its IUPAC name is (E)-5-(4-propan-2-ylphenyl)-5-thiophen-3-ylpent-4-enoic acid.

Molecular Properties

Compound Name(E)-5-(4-propan-2-ylphenyl)-5-thiophen-3-ylpent-4-enoic acid
PubChem CID70276452
Molecular FormulaC18H20O2S
Molecular Weight300.42 g/mol
Exact Mass300.12
IUPAC Name(E)-5-(4-propan-2-ylphenyl)-5-thiophen-3-ylpent-4-enoic acid
SMILESCC(C)c1ccc(/C(=C\CCC(=O)O)c2ccsc2)cc1
InChIInChI=1S/C18H20O2S/c1-13(2)14-6-8-15(9-7-14)17(4-3-5-18(19)20)16-10-11-21-12-16/h4,6-13H,3,5H2,1-2H3,(H,19,20)/b17-4+
InChIKeyQHNUFCSKBVIERJ-HAVNEIBRSA-N
XLogP5.17
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.42
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-phenyl-5-(4-propan-2-ylphenyl)pent-4-enoic acid
CID 57178273
(4-propan-2-ylphenyl)-thiophen-3-ylmethanone
CID 43625096
1-(4-propan-2-ylphenyl)-2-thiophen-3-ylethanone
CID 61053848
4-[2-[4,4-di(thiophen-3-yl)but-3-enylamino]-1-hydroxypropyl]phenol
CID 12864504
1,4-bis(4-propan-2-ylphenyl)butane-1,4-dione
CID 166515280
4,4-di(thiophen-3-yl)but-3-enyl-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride
CID 110181817
sodium 2-amino-5,5-bis(4-propan-2-ylphenyl)pent-4-enoate
CID 23710784
1,5-bis(4-propan-2-ylphenyl)pentane-1,5-dione
CID 23512927
4-propan-2-yl-N-(thiophen-3-ylmethylideneamino)benzamide
CID 5155397
4-methyl-1-(4-propan-2-ylphenyl)pentan-1-one
CID 43625084
2-methyl-4-oxo-4-thiophen-3-ylbutanoic acid
CID 20529994
3-[methyl-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]amino]propanoic acid
CID 82136248

Frequently Asked Questions

What is the IUPAC name of (E)-5-(4-propan-2-ylphenyl)-5-thiophen-3-ylpent-4-enoic acid?
The IUPAC name of (E)-5-(4-propan-2-ylphenyl)-5-thiophen-3-ylpent-4-enoic acid (CID 70276452) is (E)-5-(4-propan-2-ylphenyl)-5-thiophen-3-ylpent-4-enoic acid.
What is the SMILES notation for (E)-5-(4-propan-2-ylphenyl)-5-thiophen-3-ylpent-4-enoic acid?
The canonical SMILES for (E)-5-(4-propan-2-ylphenyl)-5-thiophen-3-ylpent-4-enoic acid is CC(C)c1ccc(/C(=C\CCC(=O)O)c2ccsc2)cc1.
What is the InChIKey of (E)-5-(4-propan-2-ylphenyl)-5-thiophen-3-ylpent-4-enoic acid?
The InChIKey is QHNUFCSKBVIERJ-HAVNEIBRSA-N. The full InChI is InChI=1S/C18H20O2S/c1-13(2)14-6-8-15(9-7-14)17(4-3-5-18(19)20)16-10-11-21-12-16/h4,6-13H,3,5H2,1-2H3,(H,19,20)/b17-4+.
What are the key properties of (E)-5-(4-propan-2-ylphenyl)-5-thiophen-3-ylpent-4-enoic acid?
(E)-5-(4-propan-2-ylphenyl)-5-thiophen-3-ylpent-4-enoic acid has a molecular weight of 300.42 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(4-propan-2-ylphenyl)-5-thiophen-3-ylpent-4-enoic acid is sourced from PubChem (CID 70276452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).