methyl (2R)-1-bromo-2-phenylcyclopropane-1-carboxylate

C11H11BrO2 — CID 102133366

IUPACmethyl (2R)-1-bromo-2-phenylcyclopropane-1-carboxylate
SMILESCOC(=O)C1(Br)C[C@@H]1c1ccccc1
InChIInChI=1S/C11H11BrO2/c1-14-10(13)11(12)7-9(11)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3/t9-,11?/m1/s1
InChIKeyONEGPXMRIPLKCR-BFHBGLAWSA-N
MW255.11 g/mol
LogP2.48
Rot. Bonds2

About methyl (2R)-1-bromo-2-phenylcyclopropane-1-carboxylate

methyl (2R)-1-bromo-2-phenylcyclopropane-1-carboxylate (PubChem CID 102133366) has the molecular formula C11H11BrO2 and a molecular weight of 255.11 g/mol. Its IUPAC name is methyl (2R)-1-bromo-2-phenylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-bromo-2-phenylcyclopropane-1-carboxylate
PubChem CID102133366
Molecular FormulaC11H11BrO2
Molecular Weight255.11 g/mol
Exact Mass253.99
IUPAC Namemethyl (2R)-1-bromo-2-phenylcyclopropane-1-carboxylate
SMILESCOC(=O)C1(Br)C[C@@H]1c1ccccc1
InChIInChI=1S/C11H11BrO2/c1-14-10(13)11(12)7-9(11)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3/t9-,11?/m1/s1
InChIKeyONEGPXMRIPLKCR-BFHBGLAWSA-N
XLogP2.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cis-2,4-dimethylpentan-3-yl (1S,2S)-1-bromo-2-phenylcyclopropane-1-carboxylate
CID 102232951
cis-dimethyl (2R,3S)-2-deuterio-3-phenylcyclopropane-1,1-dicarboxylate
CID 24752248
trans-methyl (1S,2R)-2-phenyl-1-trimethylsilylcyclopropane-1-carboxylate
CID 44612781
methyl 1-(2-methylprop-2-enoyl)-2-phenylcyclopropane-1-carboxylate
CID 102264441
trans-methyl (1S,2R)-2-phenyl-1-tri(propan-2-yl)silylcyclopropane-1-carboxylate
CID 102019751
trans-methyl (1R,2S)-1-(3-bromophenyl)-2-phenylcyclopropane-1-carboxylate
CID 139247056
cis-methyl (1R,2R)-2-phenyl-1-(2-phenylethenyl)cyclopropane-1-carboxylate
CID 123994231
cis-ethyl (1R,2R)-1-chloro-2-phenylcyclopropane-1-carboxylate
CID 25137557
cis-methyl (1S,2S)-2-phenyl-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxylate
CID 44557657
1-O-methyl 1-O'-tri(propan-2-yl)silyl 2-phenylcyclopropane-1,1-dicarboxylate
CID 101387645
cis-methyl (1R,2R)-1-(4-fluorobenzoyl)-2-phenylcyclopropane-1-carboxylate
CID 44557655
trans-methyl (1S,2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropane-1-carboxylate
CID 10946226

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-bromo-2-phenylcyclopropane-1-carboxylate?
The IUPAC name of methyl (2R)-1-bromo-2-phenylcyclopropane-1-carboxylate (CID 102133366) is methyl (2R)-1-bromo-2-phenylcyclopropane-1-carboxylate.
What is the SMILES notation for methyl (2R)-1-bromo-2-phenylcyclopropane-1-carboxylate?
The canonical SMILES for methyl (2R)-1-bromo-2-phenylcyclopropane-1-carboxylate is COC(=O)C1(Br)C[C@@H]1c1ccccc1.
What is the InChIKey of methyl (2R)-1-bromo-2-phenylcyclopropane-1-carboxylate?
The InChIKey is ONEGPXMRIPLKCR-BFHBGLAWSA-N. The full InChI is InChI=1S/C11H11BrO2/c1-14-10(13)11(12)7-9(11)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3/t9-,11?/m1/s1.
What are the key properties of methyl (2R)-1-bromo-2-phenylcyclopropane-1-carboxylate?
methyl (2R)-1-bromo-2-phenylcyclopropane-1-carboxylate has a molecular weight of 255.11 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-bromo-2-phenylcyclopropane-1-carboxylate is sourced from PubChem (CID 102133366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).