2-(3-bromo-4-methylphenyl)-2-(2-hydroxyethoxy)acetic acid

C11H13BrO4 — CID 103377667

IUPAC2-(3-bromo-4-methylphenyl)-2-(2-hydroxyethoxy)acetic acid
SMILESCc1ccc(C(OCCO)C(=O)O)cc1Br
InChIInChI=1S/C11H13BrO4/c1-7-2-3-8(6-9(7)12)10(11(14)15)16-5-4-13/h2-3,6,10,13H,4-5H2,1H3,(H,14,15)
InChIKeyGFIAMCVHTOVDBV-UHFFFAOYSA-N
MW289.13 g/mol
LogP1.89
Rot. Bonds5

About 2-(3-bromo-4-methylphenyl)-2-(2-hydroxyethoxy)acetic acid

2-(3-bromo-4-methylphenyl)-2-(2-hydroxyethoxy)acetic acid (PubChem CID 103377667) has the molecular formula C11H13BrO4 and a molecular weight of 289.13 g/mol. Its IUPAC name is 2-(3-bromo-4-methylphenyl)-2-(2-hydroxyethoxy)acetic acid.

Molecular Properties

Compound Name2-(3-bromo-4-methylphenyl)-2-(2-hydroxyethoxy)acetic acid
PubChem CID103377667
Molecular FormulaC11H13BrO4
Molecular Weight289.13 g/mol
Exact Mass288.00
IUPAC Name2-(3-bromo-4-methylphenyl)-2-(2-hydroxyethoxy)acetic acid
SMILESCc1ccc(C(OCCO)C(=O)O)cc1Br
InChIInChI=1S/C11H13BrO4/c1-7-2-3-8(6-9(7)12)10(11(14)15)16-5-4-13/h2-3,6,10,13H,4-5H2,1H3,(H,14,15)
InChIKeyGFIAMCVHTOVDBV-UHFFFAOYSA-N
XLogP1.89
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-hydroxyethoxy)-2-(4-methylphenyl)acetic acid
CID 83224145
2-(3-bromo-4-methylphenyl)-2-(2-hydroxyethoxy)acetonitrile
CID 103376070
2-(2,5-dimethylphenyl)-2-(2-hydroxyethoxy)acetic acid
CID 103377595
2-(4-bromo-3-fluorophenyl)-2-propoxyacetic acid
CID 83224609
2-(2-hydroxyethoxy)-2-(2-methylphenyl)acetic acid
CID 83223513
1-(3-bromo-4-methylphenyl)-2-methoxyethanol
CID 115819132
ethyl 2-amino-2-(3-bromo-4-methylphenyl)acetate
CID 105401879
ethyl 2-amino-3-(3-bromo-4-methylphenyl)-3-hydroxypropanoate
CID 105405910
2-(3-bromo-4-methylphenoxy)propanoic acid
CID 131031677
(2R)-2-(3-bromo-4-methylphenoxy)propanoic acid
CID 130962484
2-(3-fluoro-4-methoxyphenyl)-2-(3-hydroxypropoxy)acetic acid
CID 83224437
N-[3-(3-bromo-4-methylphenyl)-2,3-dihydroxypropyl]acetamide
CID 170831130

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methylphenyl)-2-(2-hydroxyethoxy)acetic acid?
The IUPAC name of 2-(3-bromo-4-methylphenyl)-2-(2-hydroxyethoxy)acetic acid (CID 103377667) is 2-(3-bromo-4-methylphenyl)-2-(2-hydroxyethoxy)acetic acid.
What is the SMILES notation for 2-(3-bromo-4-methylphenyl)-2-(2-hydroxyethoxy)acetic acid?
The canonical SMILES for 2-(3-bromo-4-methylphenyl)-2-(2-hydroxyethoxy)acetic acid is Cc1ccc(C(OCCO)C(=O)O)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methylphenyl)-2-(2-hydroxyethoxy)acetic acid?
The InChIKey is GFIAMCVHTOVDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO4/c1-7-2-3-8(6-9(7)12)10(11(14)15)16-5-4-13/h2-3,6,10,13H,4-5H2,1H3,(H,14,15).
What are the key properties of 2-(3-bromo-4-methylphenyl)-2-(2-hydroxyethoxy)acetic acid?
2-(3-bromo-4-methylphenyl)-2-(2-hydroxyethoxy)acetic acid has a molecular weight of 289.13 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methylphenyl)-2-(2-hydroxyethoxy)acetic acid is sourced from PubChem (CID 103377667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).