methyl 1-(3-bromophenyl)-2-methylcyclopropane-1-carboxylate

C12H13BrO2 — CID 116843024

IUPACmethyl 1-(3-bromophenyl)-2-methylcyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2cccc(Br)c2)CC1C
InChIInChI=1S/C12H13BrO2/c1-8-7-12(8,11(14)15-2)9-4-3-5-10(13)6-9/h3-6,8H,7H2,1-2H3
InChIKeyZVWINPTWKZXBCS-UHFFFAOYSA-N
MW269.14 g/mol
LogP2.90
Rot. Bonds2

About methyl 1-(3-bromophenyl)-2-methylcyclopropane-1-carboxylate

methyl 1-(3-bromophenyl)-2-methylcyclopropane-1-carboxylate (PubChem CID 116843024) has the molecular formula C12H13BrO2 and a molecular weight of 269.14 g/mol. Its IUPAC name is methyl 1-(3-bromophenyl)-2-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-bromophenyl)-2-methylcyclopropane-1-carboxylate
PubChem CID116843024
Molecular FormulaC12H13BrO2
Molecular Weight269.14 g/mol
Exact Mass268.01
IUPAC Namemethyl 1-(3-bromophenyl)-2-methylcyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2cccc(Br)c2)CC1C
InChIInChI=1S/C12H13BrO2/c1-8-7-12(8,11(14)15-2)9-4-3-5-10(13)6-9/h3-6,8H,7H2,1-2H3
InChIKeyZVWINPTWKZXBCS-UHFFFAOYSA-N
XLogP2.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

trans-methyl (1R,2S)-1-(3-bromophenyl)-2-phenylcyclopropane-1-carboxylate
CID 139247056
1-(3-bromophenyl)-2-methylcyclopropane-1-carboxylic acid
CID 83488510
methyl 1-(3-bromophenyl)cyclobutane-1-carboxylate
CID 75487937
methyl 1-(3-bromophenyl)-3-hydroxy-3-methylcyclobutane-1-carboxylate
CID 158225865
methyl 1-(4-methoxy-3,5-dimethylphenyl)-2-methylcyclopropane-1-carboxylate
CID 116843031
methyl 1-(4-ethoxy-3-methylphenyl)-2-methylcyclopropane-1-carboxylate
CID 116842967
methyl 2-methyl-1-(2-methylphenyl)cyclopropane-1-carboxylate
CID 116843020
methyl 2-amino-2-[1-(3-bromophenyl)cyclopropyl]acetate
CID 115052116
1-[[1-(3-bromophenyl)cyclopropyl]methyl]-3-methoxyurea
CID 56805862
1-(3-bromophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide
CID 76831250
cis-(1S,2R)-1-(3-bromophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide
CID 58563114
1-bromo-3-(1,3-dimethylcyclobutyl)benzene
CID 169179342

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-bromophenyl)-2-methylcyclopropane-1-carboxylate?
The IUPAC name of methyl 1-(3-bromophenyl)-2-methylcyclopropane-1-carboxylate (CID 116843024) is methyl 1-(3-bromophenyl)-2-methylcyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-(3-bromophenyl)-2-methylcyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-(3-bromophenyl)-2-methylcyclopropane-1-carboxylate is COC(=O)C1(c2cccc(Br)c2)CC1C.
What is the InChIKey of methyl 1-(3-bromophenyl)-2-methylcyclopropane-1-carboxylate?
The InChIKey is ZVWINPTWKZXBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrO2/c1-8-7-12(8,11(14)15-2)9-4-3-5-10(13)6-9/h3-6,8H,7H2,1-2H3.
What are the key properties of methyl 1-(3-bromophenyl)-2-methylcyclopropane-1-carboxylate?
methyl 1-(3-bromophenyl)-2-methylcyclopropane-1-carboxylate has a molecular weight of 269.14 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-bromophenyl)-2-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 116843024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).