methyl 2-(3-bromo-4-methoxyphenyl)-2-hydroxyacetate

C10H11BrO4 — CID 62214467

IUPACmethyl 2-(3-bromo-4-methoxyphenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1ccc(OC)c(Br)c1
InChIInChI=1S/C10H11BrO4/c1-14-8-4-3-6(5-7(8)11)9(12)10(13)15-2/h3-5,9,12H,1-2H3
InChIKeyUZQCQVPVDLSLAP-UHFFFAOYSA-N
MW275.10 g/mol
LogP1.66
Rot. Bonds3

About methyl 2-(3-bromo-4-methoxyphenyl)-2-hydroxyacetate

methyl 2-(3-bromo-4-methoxyphenyl)-2-hydroxyacetate (PubChem CID 62214467) has the molecular formula C10H11BrO4 and a molecular weight of 275.10 g/mol. Its IUPAC name is methyl 2-(3-bromo-4-methoxyphenyl)-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-(3-bromo-4-methoxyphenyl)-2-hydroxyacetate
PubChem CID62214467
Molecular FormulaC10H11BrO4
Molecular Weight275.10 g/mol
Exact Mass273.98
IUPAC Namemethyl 2-(3-bromo-4-methoxyphenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1ccc(OC)c(Br)c1
InChIInChI=1S/C10H11BrO4/c1-14-8-4-3-6(5-7(8)11)9(12)10(13)15-2/h3-5,9,12H,1-2H3
InChIKeyUZQCQVPVDLSLAP-UHFFFAOYSA-N
XLogP1.66
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.10
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromo-4-methoxyphenyl)-2-methylprop-2-en-1-ol
CID 79190451
methyl 2-[3-bromo-4-(dimethylamino)phenyl]-2-hydroxyacetate
CID 117464980
methyl 2-[3-bromo-4-(methoxymethyl)phenyl]-2-hydroxyacetate
CID 117466740
methyl 2-hydroxy-2-(3-methoxy-4-propan-2-ylphenyl)acetate
CID 117349069
methyl (3S)-3-amino-3-(3-bromo-4-methoxyphenyl)propanoate
CID 93454839
methyl 2-(3-bromo-4-propan-2-yloxyphenyl)propanoate
CID 105426774
N-[1-(3-bromo-4-methoxyphenyl)ethyl]acetamide
CID 47119084
bromo-(3-bromo-4-methoxyphenyl)methanamine
CID 116947586
(1R)-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 7047696
2-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]acetamide
CID 43713382
ethyl N-[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]carbamate
CID 8962784
methyl (3R)-3-amino-3-(3-bromo-4-methoxyphenyl)-2,2-dimethylpropanoate;hydrochloride
CID 171241590

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-bromo-4-methoxyphenyl)-2-hydroxyacetate?
The IUPAC name of methyl 2-(3-bromo-4-methoxyphenyl)-2-hydroxyacetate (CID 62214467) is methyl 2-(3-bromo-4-methoxyphenyl)-2-hydroxyacetate.
What is the SMILES notation for methyl 2-(3-bromo-4-methoxyphenyl)-2-hydroxyacetate?
The canonical SMILES for methyl 2-(3-bromo-4-methoxyphenyl)-2-hydroxyacetate is COC(=O)C(O)c1ccc(OC)c(Br)c1.
What is the InChIKey of methyl 2-(3-bromo-4-methoxyphenyl)-2-hydroxyacetate?
The InChIKey is UZQCQVPVDLSLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO4/c1-14-8-4-3-6(5-7(8)11)9(12)10(13)15-2/h3-5,9,12H,1-2H3.
What are the key properties of methyl 2-(3-bromo-4-methoxyphenyl)-2-hydroxyacetate?
methyl 2-(3-bromo-4-methoxyphenyl)-2-hydroxyacetate has a molecular weight of 275.10 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-bromo-4-methoxyphenyl)-2-hydroxyacetate is sourced from PubChem (CID 62214467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).