methyl 2-[1-(2-bromophenyl)cyclopropyl]-2-hydroxyacetate

C12H13BrO3 — CID 151076035

IUPACmethyl 2-[1-(2-bromophenyl)cyclopropyl]-2-hydroxyacetate
SMILESCOC(=O)C(O)C1(c2ccccc2Br)CC1
InChIInChI=1S/C12H13BrO3/c1-16-11(15)10(14)12(6-7-12)8-4-2-3-5-9(8)13/h2-5,10,14H,6-7H2,1H3
InChIKeyMJDATHHPTNNMGV-UHFFFAOYSA-N
MW285.14 g/mol
LogP2.01
Rot. Bonds3

About methyl 2-[1-(2-bromophenyl)cyclopropyl]-2-hydroxyacetate

methyl 2-[1-(2-bromophenyl)cyclopropyl]-2-hydroxyacetate (PubChem CID 151076035) has the molecular formula C12H13BrO3 and a molecular weight of 285.14 g/mol. Its IUPAC name is methyl 2-[1-(2-bromophenyl)cyclopropyl]-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-[1-(2-bromophenyl)cyclopropyl]-2-hydroxyacetate
PubChem CID151076035
Molecular FormulaC12H13BrO3
Molecular Weight285.14 g/mol
Exact Mass284.00
IUPAC Namemethyl 2-[1-(2-bromophenyl)cyclopropyl]-2-hydroxyacetate
SMILESCOC(=O)C(O)C1(c2ccccc2Br)CC1
InChIInChI=1S/C12H13BrO3/c1-16-11(15)10(14)12(6-7-12)8-4-2-3-5-9(8)13/h2-5,10,14H,6-7H2,1H3
InChIKeyMJDATHHPTNNMGV-UHFFFAOYSA-N
XLogP2.01
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-hydroxy-2-(1-phenylcyclopropyl)acetate
CID 67810005
1-[1-(2-bromophenyl)cyclopropyl]-N,N-dimethylethanamine
CID 115049914
methyl 2-amino-2-[1-(3-bromophenyl)cyclopropyl]acetate
CID 115052116
methyl 1-amino-4-bromo-2,3-dihydroindene-1-carboxylate
CID 83913602
dimethyl tetracyclo[6.6.3.02,7.09,14]heptadeca-2,4,6,9,11,13-hexaene-1,8-dicarboxylate
CID 102099332
methyl 1-hydroxy-2,3-dihydroindene-1-carboxylate
CID 62213056
2-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668782
methyl 3-(2-bromophenyl)-3-methyloxirane-2-carboxylate
CID 66438046
methyl (1R)-1-amino-2,3-dihydroindene-1-carboxylate
CID 67850264
methyl 2-(1-aminocyclopropyl)benzoate;hydrochloride
CID 154577525
methyl 3-[(2-bromobenzoyl)amino]-2-hydroxypropanoate
CID 103879318
methyl 2-(2-bromophenyl)-2-pyrrolidin-1-ylacetate
CID 116860558

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(2-bromophenyl)cyclopropyl]-2-hydroxyacetate?
The IUPAC name of methyl 2-[1-(2-bromophenyl)cyclopropyl]-2-hydroxyacetate (CID 151076035) is methyl 2-[1-(2-bromophenyl)cyclopropyl]-2-hydroxyacetate.
What is the SMILES notation for methyl 2-[1-(2-bromophenyl)cyclopropyl]-2-hydroxyacetate?
The canonical SMILES for methyl 2-[1-(2-bromophenyl)cyclopropyl]-2-hydroxyacetate is COC(=O)C(O)C1(c2ccccc2Br)CC1.
What is the InChIKey of methyl 2-[1-(2-bromophenyl)cyclopropyl]-2-hydroxyacetate?
The InChIKey is MJDATHHPTNNMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrO3/c1-16-11(15)10(14)12(6-7-12)8-4-2-3-5-9(8)13/h2-5,10,14H,6-7H2,1H3.
What are the key properties of methyl 2-[1-(2-bromophenyl)cyclopropyl]-2-hydroxyacetate?
methyl 2-[1-(2-bromophenyl)cyclopropyl]-2-hydroxyacetate has a molecular weight of 285.14 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(2-bromophenyl)cyclopropyl]-2-hydroxyacetate is sourced from PubChem (CID 151076035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).