(2R)-2-bromo-2-(2-methoxyphenyl)acetic acid

C9H9BrO3 — CID 129386979

IUPAC(2R)-2-bromo-2-(2-methoxyphenyl)acetic acid
SMILESCOc1ccccc1[C@@H](Br)C(=O)O
InChIInChI=1S/C9H9BrO3/c1-13-7-5-3-2-4-6(7)8(10)9(11)12/h2-5,8H,1H3,(H,11,12)/t8-/m1/s1
InChIKeyATOXQECHORUENR-MRVPVSSYSA-N
MW245.07 g/mol
LogP2.22
Rot. Bonds3

About (2R)-2-bromo-2-(2-methoxyphenyl)acetic acid

(2R)-2-bromo-2-(2-methoxyphenyl)acetic acid (PubChem CID 129386979) has the molecular formula C9H9BrO3 and a molecular weight of 245.07 g/mol. Its IUPAC name is (2R)-2-bromo-2-(2-methoxyphenyl)acetic acid.

Molecular Properties

Compound Name(2R)-2-bromo-2-(2-methoxyphenyl)acetic acid
PubChem CID129386979
Molecular FormulaC9H9BrO3
Molecular Weight245.07 g/mol
Exact Mass243.97
IUPAC Name(2R)-2-bromo-2-(2-methoxyphenyl)acetic acid
SMILESCOc1ccccc1[C@@H](Br)C(=O)O
InChIInChI=1S/C9H9BrO3/c1-13-7-5-3-2-4-6(7)8(10)9(11)12/h2-5,8H,1H3,(H,11,12)/t8-/m1/s1
InChIKeyATOXQECHORUENR-MRVPVSSYSA-N
XLogP2.22
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.07
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-bromo-2-[2-(1-bromo-2-methoxy-2-oxoethyl)phenyl]acetic acid
CID 54556282
3-(2-methoxyphenyl)-2-methyl-3-(methylamino)propanoic acid
CID 116953394
2-(2,3-dimethoxyphenyl)-2-methoxyacetic acid
CID 83224228
3-(2-methoxyphenyl)-2-oxobutanoic acid
CID 70150557
2-[acetyl(methyl)amino]-2-(2-methoxyphenyl)acetic acid
CID 63701934
3-(2-methoxyphenyl)-2,3-bis(methylamino)propanoic acid
CID 116961127
3-(2-methoxyphenoxy)-2-(2-methoxyphenyl)propanoic acid
CID 117244346
2-bromo-N-[(1R)-1-(2-methoxyphenyl)ethyl]propanamide
CID 107905549
(2-bromophenyl)-(2-methoxyphenyl)methanesulfonic acid
CID 151882213
(2R)-2-amino-2-(2-bromo-3-methoxyphenyl)acetic acid
CID 131039451
1-(3-bromobutan-2-yl)-2-methoxybenzene
CID 66469864
4-fluoro-3-(2-methoxyphenyl)pentanoic acid
CID 115035494

Frequently Asked Questions

What is the IUPAC name of (2R)-2-bromo-2-(2-methoxyphenyl)acetic acid?
The IUPAC name of (2R)-2-bromo-2-(2-methoxyphenyl)acetic acid (CID 129386979) is (2R)-2-bromo-2-(2-methoxyphenyl)acetic acid.
What is the SMILES notation for (2R)-2-bromo-2-(2-methoxyphenyl)acetic acid?
The canonical SMILES for (2R)-2-bromo-2-(2-methoxyphenyl)acetic acid is COc1ccccc1[C@@H](Br)C(=O)O.
What is the InChIKey of (2R)-2-bromo-2-(2-methoxyphenyl)acetic acid?
The InChIKey is ATOXQECHORUENR-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H9BrO3/c1-13-7-5-3-2-4-6(7)8(10)9(11)12/h2-5,8H,1H3,(H,11,12)/t8-/m1/s1.
What are the key properties of (2R)-2-bromo-2-(2-methoxyphenyl)acetic acid?
(2R)-2-bromo-2-(2-methoxyphenyl)acetic acid has a molecular weight of 245.07 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-bromo-2-(2-methoxyphenyl)acetic acid is sourced from PubChem (CID 129386979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).