5-(3-cyclopropyloxyphenyl)thiophene-2-carboxylic acid

C14H12O3S — CID 114522421

IUPAC5-(3-cyclopropyloxyphenyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2cccc(OC3CC3)c2)s1
InChIInChI=1S/C14H12O3S/c15-14(16)13-7-6-12(18-13)9-2-1-3-11(8-9)17-10-4-5-10/h1-3,6-8,10H,4-5H2,(H,15,16)
InChIKeyVEBJYXBCDRATLB-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.65
Rot. Bonds4

About 5-(3-cyclopropyloxyphenyl)thiophene-2-carboxylic acid

5-(3-cyclopropyloxyphenyl)thiophene-2-carboxylic acid (PubChem CID 114522421) has the molecular formula C14H12O3S and a molecular weight of 260.31 g/mol. Its IUPAC name is 5-(3-cyclopropyloxyphenyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-cyclopropyloxyphenyl)thiophene-2-carboxylic acid
PubChem CID114522421
Molecular FormulaC14H12O3S
Molecular Weight260.31 g/mol
Exact Mass260.05
IUPAC Name5-(3-cyclopropyloxyphenyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2cccc(OC3CC3)c2)s1
InChIInChI=1S/C14H12O3S/c15-14(16)13-7-6-12(18-13)9-2-1-3-11(8-9)17-10-4-5-10/h1-3,6-8,10H,4-5H2,(H,15,16)
InChIKeyVEBJYXBCDRATLB-UHFFFAOYSA-N
XLogP3.65
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-phenylphenyl)thiophene-2-carboxylic acid
CID 7130760
3-(3-cyclopropyloxyphenyl)-2-methylbenzoic acid
CID 114522408
5-(3-methylsulfonylphenyl)thiophene-2-carboxylic acid
CID 53486055
methyl 3-(3-cyclopropyloxyphenyl)-4-methylthiophene-2-carboxylate
CID 103173087
3-(oxan-4-yloxy)benzoic acid
CID 23149060
1-[4-(3-cyclopropyloxyphenyl)phenyl]propan-1-one
CID 114522522
4-(3-cyclopropyloxyphenyl)-2-methylphenol
CID 114523617
1-(3-cyclopropyloxyphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103311606
N-(1-azabicyclo[3.2.1]octan-3-yl)-5-(3-methoxyphenyl)thiophene-2-carboxamide
CID 22350651
N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-5-(3-phenylmethoxyphenyl)thiophene-2-carboxamide
CID 20815167
ethyl 2-[[4-(3-thiophen-2-ylphenoxy)piperidine-1-carbonyl]amino]acetate
CID 24733664
(3-cyclopropyloxyphenyl)-(4,5-dimethylthiophen-2-yl)methanone
CID 115813197

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclopropyloxyphenyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(3-cyclopropyloxyphenyl)thiophene-2-carboxylic acid (CID 114522421) is 5-(3-cyclopropyloxyphenyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(3-cyclopropyloxyphenyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(3-cyclopropyloxyphenyl)thiophene-2-carboxylic acid is O=C(O)c1ccc(-c2cccc(OC3CC3)c2)s1.
What is the InChIKey of 5-(3-cyclopropyloxyphenyl)thiophene-2-carboxylic acid?
The InChIKey is VEBJYXBCDRATLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3S/c15-14(16)13-7-6-12(18-13)9-2-1-3-11(8-9)17-10-4-5-10/h1-3,6-8,10H,4-5H2,(H,15,16).
What are the key properties of 5-(3-cyclopropyloxyphenyl)thiophene-2-carboxylic acid?
5-(3-cyclopropyloxyphenyl)thiophene-2-carboxylic acid has a molecular weight of 260.31 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclopropyloxyphenyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 114522421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).