4-[(3,4-dimethoxyphenyl)methoxy]thiophene-2-carboxylic acid

C14H14O5S — CID 66438880

IUPAC4-[(3,4-dimethoxyphenyl)methoxy]thiophene-2-carboxylic acid
SMILESCOc1ccc(COc2csc(C(=O)O)c2)cc1OC
InChIInChI=1S/C14H14O5S/c1-17-11-4-3-9(5-12(11)18-2)7-19-10-6-13(14(15)16)20-8-10/h3-6,8H,7H2,1-2H3,(H,15,16)
InChIKeyNPZNINLBISNTJG-UHFFFAOYSA-N
MW294.33 g/mol
LogP3.04
Rot. Bonds6

About 4-[(3,4-dimethoxyphenyl)methoxy]thiophene-2-carboxylic acid

4-[(3,4-dimethoxyphenyl)methoxy]thiophene-2-carboxylic acid (PubChem CID 66438880) has the molecular formula C14H14O5S and a molecular weight of 294.33 g/mol. Its IUPAC name is 4-[(3,4-dimethoxyphenyl)methoxy]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(3,4-dimethoxyphenyl)methoxy]thiophene-2-carboxylic acid
PubChem CID66438880
Molecular FormulaC14H14O5S
Molecular Weight294.33 g/mol
Exact Mass294.06
IUPAC Name4-[(3,4-dimethoxyphenyl)methoxy]thiophene-2-carboxylic acid
SMILESCOc1ccc(COc2csc(C(=O)O)c2)cc1OC
InChIInChI=1S/C14H14O5S/c1-17-11-4-3-9(5-12(11)18-2)7-19-10-6-13(14(15)16)20-8-10/h3-6,8H,7H2,1-2H3,(H,15,16)
InChIKeyNPZNINLBISNTJG-UHFFFAOYSA-N
XLogP3.04
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-fluoro-4-methoxyphenyl)methoxy]thiophene-2-carboxylic acid
CID 66437759
4-[(4-methoxyphenyl)methoxy]thiophene-2-carboxylic acid
CID 66436440
4-[(3,4-dimethoxyphenyl)methylsulfanyl]thiophene-2-carboxylic acid
CID 79140243
methyl 4-[(3,4-dimethoxyphenyl)methoxy]benzoate
CID 15186062
4-[(5-ethylthiophen-2-yl)methoxy]thiophene-2-carboxylic acid
CID 66436704
4-(2,6-dimethoxyphenoxy)thiophene-2-carboxylic acid
CID 113404010
4-[(4-propylphenoxy)methyl]thiophene-2-carboxylic acid
CID 19620562
2-[(3,4-dimethoxyphenyl)methoxy]acetic acid
CID 10727925
4-[(4-iodophenoxy)methyl]-1,2-dimethoxybenzene
CID 61400160
4-[(4-chlorophenoxy)methyl]thiophene-2-carboxylic acid
CID 19620576
(1S)-1-[4-[(3,4-dimethoxyphenyl)methoxy]phenyl]ethanol
CID 78933373
4-[4-(2-methoxyethyl)phenoxy]thiophene-2-carboxylic acid
CID 113404027

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethoxyphenyl)methoxy]thiophene-2-carboxylic acid?
The IUPAC name of 4-[(3,4-dimethoxyphenyl)methoxy]thiophene-2-carboxylic acid (CID 66438880) is 4-[(3,4-dimethoxyphenyl)methoxy]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[(3,4-dimethoxyphenyl)methoxy]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[(3,4-dimethoxyphenyl)methoxy]thiophene-2-carboxylic acid is COc1ccc(COc2csc(C(=O)O)c2)cc1OC.
What is the InChIKey of 4-[(3,4-dimethoxyphenyl)methoxy]thiophene-2-carboxylic acid?
The InChIKey is NPZNINLBISNTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O5S/c1-17-11-4-3-9(5-12(11)18-2)7-19-10-6-13(14(15)16)20-8-10/h3-6,8H,7H2,1-2H3,(H,15,16).
What are the key properties of 4-[(3,4-dimethoxyphenyl)methoxy]thiophene-2-carboxylic acid?
4-[(3,4-dimethoxyphenyl)methoxy]thiophene-2-carboxylic acid has a molecular weight of 294.33 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethoxyphenyl)methoxy]thiophene-2-carboxylic acid is sourced from PubChem (CID 66438880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).