2-(2-bromoprop-2-enoxy)-4-methoxybenzoic acid

C11H11BrO4 — CID 61379603

IUPAC2-(2-bromoprop-2-enoxy)-4-methoxybenzoic acid
SMILESC=C(Br)COc1cc(OC)ccc1C(=O)O
InChIInChI=1S/C11H11BrO4/c1-7(12)6-16-10-5-8(15-2)3-4-9(10)11(13)14/h3-5H,1,6H2,2H3,(H,13,14)
InChIKeyCAXWEKTWRVIXTK-UHFFFAOYSA-N
MW287.11 g/mol
LogP2.68
Rot. Bonds5

About 2-(2-bromoprop-2-enoxy)-4-methoxybenzoic acid

2-(2-bromoprop-2-enoxy)-4-methoxybenzoic acid (PubChem CID 61379603) has the molecular formula C11H11BrO4 and a molecular weight of 287.11 g/mol. Its IUPAC name is 2-(2-bromoprop-2-enoxy)-4-methoxybenzoic acid.

Molecular Properties

Compound Name2-(2-bromoprop-2-enoxy)-4-methoxybenzoic acid
PubChem CID61379603
Molecular FormulaC11H11BrO4
Molecular Weight287.11 g/mol
Exact Mass285.98
IUPAC Name2-(2-bromoprop-2-enoxy)-4-methoxybenzoic acid
SMILESC=C(Br)COc1cc(OC)ccc1C(=O)O
InChIInChI=1S/C11H11BrO4/c1-7(12)6-16-10-5-8(15-2)3-4-9(10)11(13)14/h3-5H,1,6H2,2H3,(H,13,14)
InChIKeyCAXWEKTWRVIXTK-UHFFFAOYSA-N
XLogP2.68
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.11
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
2-(2-bromoprop-2-enoxy)-4-methoxybenzaldehyde
CID 61230234
5-methoxy-2-(2-methylidenebutoxy)benzoic acid
CID 66047074
4-methoxy-2-(3-methylbut-2-enoxy)benzoic acid
CID 60693202
2-(2-anilino-2-oxoethoxy)-4-methoxybenzoic acid
CID 45418219
(1R)-1-[2-(2-bromoprop-2-enoxy)-4-methoxyphenyl]ethanamine
CID 82001145
2-(3-amino-3-oxopropoxy)-4-methoxybenzoic acid
CID 60712906
2-but-2-enoxy-4-methoxybenzoic acid
CID 61379318
2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-4-methoxybenzoic acid
CID 61488783
5-bromo-2,4-dimethoxybenzoic acid;2,4-dimethoxybenzoic acid
CID 158809754
4-methoxy-2-(3-methylsulfonylpropoxy)benzoic acid
CID 63190587

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoprop-2-enoxy)-4-methoxybenzoic acid?
The IUPAC name of 2-(2-bromoprop-2-enoxy)-4-methoxybenzoic acid (CID 61379603) is 2-(2-bromoprop-2-enoxy)-4-methoxybenzoic acid.
What is the SMILES notation for 2-(2-bromoprop-2-enoxy)-4-methoxybenzoic acid?
The canonical SMILES for 2-(2-bromoprop-2-enoxy)-4-methoxybenzoic acid is C=C(Br)COc1cc(OC)ccc1C(=O)O.
What is the InChIKey of 2-(2-bromoprop-2-enoxy)-4-methoxybenzoic acid?
The InChIKey is CAXWEKTWRVIXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO4/c1-7(12)6-16-10-5-8(15-2)3-4-9(10)11(13)14/h3-5H,1,6H2,2H3,(H,13,14).
What are the key properties of 2-(2-bromoprop-2-enoxy)-4-methoxybenzoic acid?
2-(2-bromoprop-2-enoxy)-4-methoxybenzoic acid has a molecular weight of 287.11 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoprop-2-enoxy)-4-methoxybenzoic acid is sourced from PubChem (CID 61379603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).