2-(3-bromofuran-2-yl)-5-methoxybenzoic acid

C12H9BrO4 — CID 63950223

IUPAC2-(3-bromofuran-2-yl)-5-methoxybenzoic acid
SMILESCOc1ccc(-c2occc2Br)c(C(=O)O)c1
InChIInChI=1S/C12H9BrO4/c1-16-7-2-3-8(9(6-7)12(14)15)11-10(13)4-5-17-11/h2-6H,1H3,(H,14,15)
InChIKeyDSFJEGCUINWSPZ-UHFFFAOYSA-N
MW297.10 g/mol
LogP3.42
Rot. Bonds3

About 2-(3-bromofuran-2-yl)-5-methoxybenzoic acid

2-(3-bromofuran-2-yl)-5-methoxybenzoic acid (PubChem CID 63950223) has the molecular formula C12H9BrO4 and a molecular weight of 297.10 g/mol. Its IUPAC name is 2-(3-bromofuran-2-yl)-5-methoxybenzoic acid.

Molecular Properties

Compound Name2-(3-bromofuran-2-yl)-5-methoxybenzoic acid
PubChem CID63950223
Molecular FormulaC12H9BrO4
Molecular Weight297.10 g/mol
Exact Mass295.97
IUPAC Name2-(3-bromofuran-2-yl)-5-methoxybenzoic acid
SMILESCOc1ccc(-c2occc2Br)c(C(=O)O)c1
InChIInChI=1S/C12H9BrO4/c1-16-7-2-3-8(9(6-7)12(14)15)11-10(13)4-5-17-11/h2-6H,1H3,(H,14,15)
InChIKeyDSFJEGCUINWSPZ-UHFFFAOYSA-N
XLogP3.42
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.10
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-2-(4-methoxyphenyl)benzoic acid
CID 2060525
2-(furan-3-yl)-5-methoxybenzoic acid
CID 63948118
2-amino-5-methoxybenzoic acid;hydrochloride
CID 15618229
2-[(2-bromofuran-3-carbonyl)amino]-5-methoxybenzoic acid
CID 106851150
2-(4-fluorophenyl)-5-methoxybenzoic acid
CID 15461737
5-bromo-2,4-dimethoxybenzoic acid;2,4-dimethoxybenzoic acid
CID 158809754
5-(3-bromofuran-2-yl)-2-fluorobenzoic acid
CID 63947781
2-(2,3-difluoro-4-methylphenyl)-5-methoxybenzoic acid
CID 107514003
CID 171375610
CID 171375610
(3-bromofuran-2-yl)-(2-fluoro-4-methoxyphenyl)methanone
CID 81304337
2-(2-hydroxy-4-methoxyphenyl)-5-nitrobenzoic acid
CID 102343962
5-methoxy-2-(4-methylnaphthalen-1-yl)benzoic acid
CID 53405469

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromofuran-2-yl)-5-methoxybenzoic acid?
The IUPAC name of 2-(3-bromofuran-2-yl)-5-methoxybenzoic acid (CID 63950223) is 2-(3-bromofuran-2-yl)-5-methoxybenzoic acid.
What is the SMILES notation for 2-(3-bromofuran-2-yl)-5-methoxybenzoic acid?
The canonical SMILES for 2-(3-bromofuran-2-yl)-5-methoxybenzoic acid is COc1ccc(-c2occc2Br)c(C(=O)O)c1.
What is the InChIKey of 2-(3-bromofuran-2-yl)-5-methoxybenzoic acid?
The InChIKey is DSFJEGCUINWSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrO4/c1-16-7-2-3-8(9(6-7)12(14)15)11-10(13)4-5-17-11/h2-6H,1H3,(H,14,15).
What are the key properties of 2-(3-bromofuran-2-yl)-5-methoxybenzoic acid?
2-(3-bromofuran-2-yl)-5-methoxybenzoic acid has a molecular weight of 297.10 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromofuran-2-yl)-5-methoxybenzoic acid is sourced from PubChem (CID 63950223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).