3-[(2-bromo-5-methoxyphenyl)methoxy]thiophene-2-carboxylic acid

C13H11BrO4S — CID 65322037

IUPAC3-[(2-bromo-5-methoxyphenyl)methoxy]thiophene-2-carboxylic acid
SMILESCOc1ccc(Br)c(COc2ccsc2C(=O)O)c1
InChIInChI=1S/C13H11BrO4S/c1-17-9-2-3-10(14)8(6-9)7-18-11-4-5-19-12(11)13(15)16/h2-6H,7H2,1H3,(H,15,16)
InChIKeyIBOSOOVOZWYNHH-UHFFFAOYSA-N
MW343.20 g/mol
LogP3.80
Rot. Bonds5

About 3-[(2-bromo-5-methoxyphenyl)methoxy]thiophene-2-carboxylic acid

3-[(2-bromo-5-methoxyphenyl)methoxy]thiophene-2-carboxylic acid (PubChem CID 65322037) has the molecular formula C13H11BrO4S and a molecular weight of 343.20 g/mol. Its IUPAC name is 3-[(2-bromo-5-methoxyphenyl)methoxy]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2-bromo-5-methoxyphenyl)methoxy]thiophene-2-carboxylic acid
PubChem CID65322037
Molecular FormulaC13H11BrO4S
Molecular Weight343.20 g/mol
Exact Mass341.96
IUPAC Name3-[(2-bromo-5-methoxyphenyl)methoxy]thiophene-2-carboxylic acid
SMILESCOc1ccc(Br)c(COc2ccsc2C(=O)O)c1
InChIInChI=1S/C13H11BrO4S/c1-17-9-2-3-10(14)8(6-9)7-18-11-4-5-19-12(11)13(15)16/h2-6H,7H2,1H3,(H,15,16)
InChIKeyIBOSOOVOZWYNHH-UHFFFAOYSA-N
XLogP3.80
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.20
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-bromo-4-methoxyphenyl)methoxy]thiophene-2-carboxylic acid
CID 63336501
3-[(4,5-dimethoxy-2-methylphenyl)methoxy]thiophene-2-carboxylic acid
CID 63338580
2-[(2-bromo-5-methoxyphenyl)methoxy]-4-fluorobenzoic acid
CID 107014577
3-[(5-fluoro-2-methoxyphenyl)methoxy]thiophene-2-carboxylic acid
CID 63336092
5-[(2-bromo-5-methoxyphenyl)methoxy]pyridine-2-carboxylic acid
CID 79794336
2-[(2-bromo-5-methoxyphenyl)methoxy]-3-methylbenzoic acid
CID 65322657
2-(2-bromo-5-methoxyphenyl)-1-(3-chlorothiophen-2-yl)ethanone
CID 114973583
3-[(5-fluoro-2-methylphenyl)methoxy]thiophene-2-carboxylic acid
CID 105369830
3-[(4-fluoro-2-methylphenyl)methoxy]thiophene-2-carboxylic acid
CID 114345680
3-[(3-methoxy-5-nitrophenyl)methoxy]thiophene-2-carboxylic acid
CID 81144084
1-[(2-bromo-5-methoxyphenyl)methoxy]-5-methoxynaphthalene
CID 22728210
1-bromo-2-[(2,6-dimethylphenoxy)methyl]-4-methoxybenzene
CID 65326131

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-5-methoxyphenyl)methoxy]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(2-bromo-5-methoxyphenyl)methoxy]thiophene-2-carboxylic acid (CID 65322037) is 3-[(2-bromo-5-methoxyphenyl)methoxy]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(2-bromo-5-methoxyphenyl)methoxy]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(2-bromo-5-methoxyphenyl)methoxy]thiophene-2-carboxylic acid is COc1ccc(Br)c(COc2ccsc2C(=O)O)c1.
What is the InChIKey of 3-[(2-bromo-5-methoxyphenyl)methoxy]thiophene-2-carboxylic acid?
The InChIKey is IBOSOOVOZWYNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrO4S/c1-17-9-2-3-10(14)8(6-9)7-18-11-4-5-19-12(11)13(15)16/h2-6H,7H2,1H3,(H,15,16).
What are the key properties of 3-[(2-bromo-5-methoxyphenyl)methoxy]thiophene-2-carboxylic acid?
3-[(2-bromo-5-methoxyphenyl)methoxy]thiophene-2-carboxylic acid has a molecular weight of 343.20 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromo-5-methoxyphenyl)methoxy]thiophene-2-carboxylic acid is sourced from PubChem (CID 65322037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).