3-(2-methylpropyl)-5-phenylthiophene-2-carboxylic acid

C15H16O2S — CID 58390725

IUPAC3-(2-methylpropyl)-5-phenylthiophene-2-carboxylic acid
SMILESCC(C)Cc1cc(-c2ccccc2)sc1C(=O)O
InChIInChI=1S/C15H16O2S/c1-10(2)8-12-9-13(18-14(12)15(16)17)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,16,17)
InChIKeyHIYOOXALILMFCD-UHFFFAOYSA-N
MW260.36 g/mol
LogP4.31
Rot. Bonds4

About 3-(2-methylpropyl)-5-phenylthiophene-2-carboxylic acid

3-(2-methylpropyl)-5-phenylthiophene-2-carboxylic acid (PubChem CID 58390725) has the molecular formula C15H16O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is 3-(2-methylpropyl)-5-phenylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(2-methylpropyl)-5-phenylthiophene-2-carboxylic acid
PubChem CID58390725
Molecular FormulaC15H16O2S
Molecular Weight260.36 g/mol
Exact Mass260.09
IUPAC Name3-(2-methylpropyl)-5-phenylthiophene-2-carboxylic acid
SMILESCC(C)Cc1cc(-c2ccccc2)sc1C(=O)O
InChIInChI=1S/C15H16O2S/c1-10(2)8-12-9-13(18-14(12)15(16)17)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,16,17)
InChIKeyHIYOOXALILMFCD-UHFFFAOYSA-N
XLogP4.31
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[benzenesulfonyl(2-methylpropyl)amino]-5-phenylthiophene-2-carboxylic acid
CID 91386899
3-[(2-fluorophenyl)sulfonylmethyl]-5-phenylthiophene-2-carboxylic acid
CID 58390703
3-formyl-5-phenylthiophene-2-carboxylic acid
CID 22496239
carbonic acid;1-(2-methylpropyl)-2-phenylbenzene
CID 157367920
5-(3-fluorophenyl)-3-(propan-2-ylamino)thiophene-2-carboxylic acid
CID 71057484
3-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]-5-phenylthiophene-2-carboxylic acid
CID 156849389
methyl 3-(1-hydroxypropan-2-ylamino)-5-phenylthiophene-2-carboxylate
CID 59752386
2-[2-(2-methoxycarbonyl-5-phenylthiophen-3-yl)acetyl]benzoic acid
CID 58390695
3-[(4-chlorobenzoyl)-(1-fluoropropan-2-yl)amino]-5-phenylthiophene-2-carboxylic acid
CID 70974268
5-phenyl-3-[[2-(trifluoromethoxy)phenyl]sulfonylmethyl]thiophene-2-carboxylic acid
CID 58390754
1-(3-amino-5-phenylthiophen-2-yl)ethanone
CID 2807849
3-amino-5-(3-methylphenyl)thiophene-2-carboxylic acid
CID 83036382

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-5-phenylthiophene-2-carboxylic acid?
The IUPAC name of 3-(2-methylpropyl)-5-phenylthiophene-2-carboxylic acid (CID 58390725) is 3-(2-methylpropyl)-5-phenylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-(2-methylpropyl)-5-phenylthiophene-2-carboxylic acid?
The canonical SMILES for 3-(2-methylpropyl)-5-phenylthiophene-2-carboxylic acid is CC(C)Cc1cc(-c2ccccc2)sc1C(=O)O.
What is the InChIKey of 3-(2-methylpropyl)-5-phenylthiophene-2-carboxylic acid?
The InChIKey is HIYOOXALILMFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2S/c1-10(2)8-12-9-13(18-14(12)15(16)17)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,16,17).
What are the key properties of 3-(2-methylpropyl)-5-phenylthiophene-2-carboxylic acid?
3-(2-methylpropyl)-5-phenylthiophene-2-carboxylic acid has a molecular weight of 260.36 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-5-phenylthiophene-2-carboxylic acid is sourced from PubChem (CID 58390725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).