(2R)-2-(3-bromo-4,5-dimethoxyphenyl)-2-hydroxyacetic acid

C10H11BrO5 — CID 66728449

IUPAC(2R)-2-(3-bromo-4,5-dimethoxyphenyl)-2-hydroxyacetic acid
SMILESCOc1cc([C@@H](O)C(=O)O)cc(Br)c1OC
InChIInChI=1S/C10H11BrO5/c1-15-7-4-5(8(12)10(13)14)3-6(11)9(7)16-2/h3-4,8,12H,1-2H3,(H,13,14)/t8-/m1/s1
InChIKeyPNHHYDIUBXEVLL-MRVPVSSYSA-N
MW291.10 g/mol
LogP1.58
Rot. Bonds4

About (2R)-2-(3-bromo-4,5-dimethoxyphenyl)-2-hydroxyacetic acid

(2R)-2-(3-bromo-4,5-dimethoxyphenyl)-2-hydroxyacetic acid (PubChem CID 66728449) has the molecular formula C10H11BrO5 and a molecular weight of 291.10 g/mol. Its IUPAC name is (2R)-2-(3-bromo-4,5-dimethoxyphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name(2R)-2-(3-bromo-4,5-dimethoxyphenyl)-2-hydroxyacetic acid
PubChem CID66728449
Molecular FormulaC10H11BrO5
Molecular Weight291.10 g/mol
Exact Mass289.98
IUPAC Name(2R)-2-(3-bromo-4,5-dimethoxyphenyl)-2-hydroxyacetic acid
SMILESCOc1cc([C@@H](O)C(=O)O)cc(Br)c1OC
InChIInChI=1S/C10H11BrO5/c1-15-7-4-5(8(12)10(13)14)3-6(11)9(7)16-2/h3-4,8,12H,1-2H3,(H,13,14)/t8-/m1/s1
InChIKeyPNHHYDIUBXEVLL-MRVPVSSYSA-N
XLogP1.58
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.10
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethoxy-5-methylphenyl)-2-hydroxyacetic acid
CID 117325097
2-(3,4-dimethoxy-5-methylsulfanylphenyl)-2-hydroxyacetic acid
CID 117399290
2-[3-(difluoromethyl)-4,5-dimethoxyphenyl]-2-hydroxyacetic acid
CID 117409617
2-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 117449576
3-amino-3-(3-bromo-4,5-dimethoxyphenyl)propanoate
CID 22608489
(2R)-2-hydroxy-2-(4-hydroxy-3-methoxy-5-methylphenyl)acetic acid
CID 67997136
5-[carboxy(hydroxy)methyl]-2-hydroxy-3-methoxybenzoic acid
CID 117356941
(2R)-2-amino-2-(3-bromo-4-ethoxy-5-methoxyphenyl)acetic acid
CID 7139595
(2R)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid
CID 736173
2-(3,5-dimethoxyphenyl)-2-hydroxyacetic acid
CID 22346233
2-amino-2-(3,4,5-trimethoxyphenyl)acetic acid
CID 5100265
3-(3-bromo-4,5-dimethoxyphenyl)-2-phenylpropanoic acid
CID 20989563

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-bromo-4,5-dimethoxyphenyl)-2-hydroxyacetic acid?
The IUPAC name of (2R)-2-(3-bromo-4,5-dimethoxyphenyl)-2-hydroxyacetic acid (CID 66728449) is (2R)-2-(3-bromo-4,5-dimethoxyphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for (2R)-2-(3-bromo-4,5-dimethoxyphenyl)-2-hydroxyacetic acid?
The canonical SMILES for (2R)-2-(3-bromo-4,5-dimethoxyphenyl)-2-hydroxyacetic acid is COc1cc([C@@H](O)C(=O)O)cc(Br)c1OC.
What is the InChIKey of (2R)-2-(3-bromo-4,5-dimethoxyphenyl)-2-hydroxyacetic acid?
The InChIKey is PNHHYDIUBXEVLL-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H11BrO5/c1-15-7-4-5(8(12)10(13)14)3-6(11)9(7)16-2/h3-4,8,12H,1-2H3,(H,13,14)/t8-/m1/s1.
What are the key properties of (2R)-2-(3-bromo-4,5-dimethoxyphenyl)-2-hydroxyacetic acid?
(2R)-2-(3-bromo-4,5-dimethoxyphenyl)-2-hydroxyacetic acid has a molecular weight of 291.10 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-bromo-4,5-dimethoxyphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 66728449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).