4-(2-bicyclo[2.2.1]heptanylmethoxy)thiophene-2-carboxylic acid

C13H16O3S — CID 79554740

IUPAC4-(2-bicyclo[2.2.1]heptanylmethoxy)thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(OCC2CC3CCC2C3)cs1
InChIInChI=1S/C13H16O3S/c14-13(15)12-5-11(7-17-12)16-6-10-4-8-1-2-9(10)3-8/h5,7-10H,1-4,6H2,(H,14,15)
InChIKeyLIQMYRBEAJSTLP-UHFFFAOYSA-N
MW252.33 g/mol
LogP3.26
Rot. Bonds4

About 4-(2-bicyclo[2.2.1]heptanylmethoxy)thiophene-2-carboxylic acid

4-(2-bicyclo[2.2.1]heptanylmethoxy)thiophene-2-carboxylic acid (PubChem CID 79554740) has the molecular formula C13H16O3S and a molecular weight of 252.33 g/mol. Its IUPAC name is 4-(2-bicyclo[2.2.1]heptanylmethoxy)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-bicyclo[2.2.1]heptanylmethoxy)thiophene-2-carboxylic acid
PubChem CID79554740
Molecular FormulaC13H16O3S
Molecular Weight252.33 g/mol
Exact Mass252.08
IUPAC Name4-(2-bicyclo[2.2.1]heptanylmethoxy)thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(OCC2CC3CCC2C3)cs1
InChIInChI=1S/C13H16O3S/c14-13(15)12-5-11(7-17-12)16-6-10-4-8-1-2-9(10)3-8/h5,7-10H,1-4,6H2,(H,14,15)
InChIKeyLIQMYRBEAJSTLP-UHFFFAOYSA-N
XLogP3.26
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-bicyclo[2.2.1]heptanylmethoxy)-2-chlorobenzoic acid
CID 106500780
4-[(5-methyloxolan-2-yl)methoxy]thiophene-2-carboxylic acid
CID 103132685
2-(2-bicyclo[2.2.1]heptanylmethoxy)-4-fluorobenzoic acid
CID 107014523
4-[(1-hydroxycyclohexyl)methoxy]thiophene-2-carboxylic acid
CID 66438211
[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl 5-nitrothiophene-3-carboxylate
CID 98786067
4-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethoxy]thiophene-2-carboxylic acid
CID 66436690
4-(2-bicyclo[2.2.1]heptanylmethoxy)-2,6-dimethylbenzenesulfonyl chloride
CID 79562208
4-(3,4-dimethylcyclohexyl)oxythiophene-2-carboxylic acid
CID 66437133
6-(2-bicyclo[2.2.1]heptanylmethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 79562624
3-[4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-chlorophenyl]prop-2-enoic acid
CID 79563440
3-[4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-bromophenyl]prop-2-enoic acid
CID 79563441
4-(4-ethylcyclohexyl)oxythiophene-2-carboxylic acid
CID 66438004

Frequently Asked Questions

What is the IUPAC name of 4-(2-bicyclo[2.2.1]heptanylmethoxy)thiophene-2-carboxylic acid?
The IUPAC name of 4-(2-bicyclo[2.2.1]heptanylmethoxy)thiophene-2-carboxylic acid (CID 79554740) is 4-(2-bicyclo[2.2.1]heptanylmethoxy)thiophene-2-carboxylic acid.
What is the SMILES notation for 4-(2-bicyclo[2.2.1]heptanylmethoxy)thiophene-2-carboxylic acid?
The canonical SMILES for 4-(2-bicyclo[2.2.1]heptanylmethoxy)thiophene-2-carboxylic acid is O=C(O)c1cc(OCC2CC3CCC2C3)cs1.
What is the InChIKey of 4-(2-bicyclo[2.2.1]heptanylmethoxy)thiophene-2-carboxylic acid?
The InChIKey is LIQMYRBEAJSTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3S/c14-13(15)12-5-11(7-17-12)16-6-10-4-8-1-2-9(10)3-8/h5,7-10H,1-4,6H2,(H,14,15).
What are the key properties of 4-(2-bicyclo[2.2.1]heptanylmethoxy)thiophene-2-carboxylic acid?
4-(2-bicyclo[2.2.1]heptanylmethoxy)thiophene-2-carboxylic acid has a molecular weight of 252.33 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bicyclo[2.2.1]heptanylmethoxy)thiophene-2-carboxylic acid is sourced from PubChem (CID 79554740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).