5-(4,5-dimethoxy-2-methylphenyl)thiophene-3-carboxylic acid

C14H14O4S — CID 98021688

IUPAC5-(4,5-dimethoxy-2-methylphenyl)thiophene-3-carboxylic acid
SMILESCOc1cc(C)c(-c2cc(C(=O)O)cs2)cc1OC
InChIInChI=1S/C14H14O4S/c1-8-4-11(17-2)12(18-3)6-10(8)13-5-9(7-19-13)14(15)16/h4-7H,1-3H3,(H,15,16)
InChIKeyDNFCDDJDFIUNRB-UHFFFAOYSA-N
MW278.33 g/mol
LogP3.44
Rot. Bonds4

About 5-(4,5-dimethoxy-2-methylphenyl)thiophene-3-carboxylic acid

5-(4,5-dimethoxy-2-methylphenyl)thiophene-3-carboxylic acid (PubChem CID 98021688) has the molecular formula C14H14O4S and a molecular weight of 278.33 g/mol. Its IUPAC name is 5-(4,5-dimethoxy-2-methylphenyl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-(4,5-dimethoxy-2-methylphenyl)thiophene-3-carboxylic acid
PubChem CID98021688
Molecular FormulaC14H14O4S
Molecular Weight278.33 g/mol
Exact Mass278.06
IUPAC Name5-(4,5-dimethoxy-2-methylphenyl)thiophene-3-carboxylic acid
SMILESCOc1cc(C)c(-c2cc(C(=O)O)cs2)cc1OC
InChIInChI=1S/C14H14O4S/c1-8-4-11(17-2)12(18-3)6-10(8)13-5-9(7-19-13)14(15)16/h4-7H,1-3H3,(H,15,16)
InChIKeyDNFCDDJDFIUNRB-UHFFFAOYSA-N
XLogP3.44
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,4-dimethoxy-3-methylphenyl)thiophene-3-carboxylic acid
CID 98021686
5-(4-methoxy-2,3,5-trimethylphenyl)thiophene-3-carboxylic acid
CID 98020174
5-(3-methoxy-1,2-thiazol-5-yl)thiophene-3-carboxylic acid
CID 130704950
3-(4,5-dimethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 4685203
2-[5-[5-(carboxymethoxy)-4-methoxy-2-methylphenyl]-2-methoxy-4-methylphenoxy]acetic acid
CID 101351133
4-methoxy-3-methyl-1-benzothiophene-6-carboxylic acid
CID 131324180
2-(4-methoxy-2,5-dimethylphenyl)pyridine-4-carboxylic acid
CID 82299850
5-(1-ethyl-3-methylpyrazol-4-yl)thiophene-3-carboxylic acid
CID 79684216
5-(4-hydroxy-5-methoxy-2-methylphenyl)-3-methylfuran-2-carboxylic acid
CID 132990930
3-(4,5-dimethoxy-2-methylphenyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid
CID 98021533
5-(4,5-dimethoxy-2-methylphenyl)-3-methyl-1,2-oxazole-4-carboxylic acid
CID 98020637
4-chloro-3-(4-methoxy-2,5-dimethylphenyl)benzoic acid
CID 107989851

Frequently Asked Questions

What is the IUPAC name of 5-(4,5-dimethoxy-2-methylphenyl)thiophene-3-carboxylic acid?
The IUPAC name of 5-(4,5-dimethoxy-2-methylphenyl)thiophene-3-carboxylic acid (CID 98021688) is 5-(4,5-dimethoxy-2-methylphenyl)thiophene-3-carboxylic acid.
What is the SMILES notation for 5-(4,5-dimethoxy-2-methylphenyl)thiophene-3-carboxylic acid?
The canonical SMILES for 5-(4,5-dimethoxy-2-methylphenyl)thiophene-3-carboxylic acid is COc1cc(C)c(-c2cc(C(=O)O)cs2)cc1OC.
What is the InChIKey of 5-(4,5-dimethoxy-2-methylphenyl)thiophene-3-carboxylic acid?
The InChIKey is DNFCDDJDFIUNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4S/c1-8-4-11(17-2)12(18-3)6-10(8)13-5-9(7-19-13)14(15)16/h4-7H,1-3H3,(H,15,16).
What are the key properties of 5-(4,5-dimethoxy-2-methylphenyl)thiophene-3-carboxylic acid?
5-(4,5-dimethoxy-2-methylphenyl)thiophene-3-carboxylic acid has a molecular weight of 278.33 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-dimethoxy-2-methylphenyl)thiophene-3-carboxylic acid is sourced from PubChem (CID 98021688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).