methyl (1R,2E)-2-benzylidene-1-(4-bromophenyl)cyclopropane-1-carboxylate

C18H15BrO2 — CID 102295275

IUPACmethyl (1R,2E)-2-benzylidene-1-(4-bromophenyl)cyclopropane-1-carboxylate
SMILESCOC(=O)[C@]1(c2ccc(Br)cc2)C/C1=C\c1ccccc1
InChIInChI=1S/C18H15BrO2/c1-21-17(20)18(14-7-9-16(19)10-8-14)12-15(18)11-13-5-3-2-4-6-13/h2-11H,12H2,1H3/b15-11+/t18-/m0/s1
InChIKeyFBDZGOPOAXHBEO-OTMARIDSSA-N
MW343.22 g/mol
LogP4.35
Rot. Bonds3

About methyl (1R,2E)-2-benzylidene-1-(4-bromophenyl)cyclopropane-1-carboxylate

methyl (1R,2E)-2-benzylidene-1-(4-bromophenyl)cyclopropane-1-carboxylate (PubChem CID 102295275) has the molecular formula C18H15BrO2 and a molecular weight of 343.22 g/mol. Its IUPAC name is methyl (1R,2E)-2-benzylidene-1-(4-bromophenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R,2E)-2-benzylidene-1-(4-bromophenyl)cyclopropane-1-carboxylate
PubChem CID102295275
Molecular FormulaC18H15BrO2
Molecular Weight343.22 g/mol
Exact Mass342.03
IUPAC Namemethyl (1R,2E)-2-benzylidene-1-(4-bromophenyl)cyclopropane-1-carboxylate
SMILESCOC(=O)[C@]1(c2ccc(Br)cc2)C/C1=C\c1ccccc1
InChIInChI=1S/C18H15BrO2/c1-21-17(20)18(14-7-9-16(19)10-8-14)12-15(18)11-13-5-3-2-4-6-13/h2-11H,12H2,1H3/b15-11+/t18-/m0/s1
InChIKeyFBDZGOPOAXHBEO-OTMARIDSSA-N
XLogP4.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-(4-bromophenyl)-5-methylidene-2-oxooxane-3-carboxylate
CID 175227884
dimethyl (3E)-3-benzylidene-4-methylcyclopentane-1,1-dicarboxylate
CID 11289206
methyl (2R)-2-(4-bromophenyl)-2,3-dimethyl-5-oxooxolane-3-carboxylate
CID 102364680
methyl 2-(4-bromophenyl)-1-fluoro-3-phenylcyclopropane-1-carboxylate
CID 118237237
dimethyl (2E)-2-[(3-chlorophenyl)methylidene]cyclopropane-1,1-dicarboxylate
CID 45379570
cis-methyl (1R,2R)-2-phenyl-1-(2-phenylethenyl)cyclopropane-1-carboxylate
CID 123994231
methyl (E)-3-(4-bromophenyl)-2-phenylprop-2-enoate
CID 102281008
methyl 3-(4-phenylphenyl)oxetane-3-carboxylate
CID 116873513
dimethyl tetracyclo[6.6.3.02,7.09,14]heptadeca-2,4,6,9,11,13-hexaene-1,8-dicarboxylate
CID 102099332
methyl (1S)-1-amino-2,2-diphenylcyclopropane-1-carboxylate
CID 129408452
dimethyl (1S,5S,7E)-1-acetyloxy-7-benzylidenebicyclo[3.2.0]heptane-3,3-dicarboxylate
CID 102042469
methyl (2S,4E)-4-benzylidene-2-butyl-5-oxopyrrolidine-2-carboxylate
CID 134945040

Frequently Asked Questions

What is the IUPAC name of methyl (1R,2E)-2-benzylidene-1-(4-bromophenyl)cyclopropane-1-carboxylate?
The IUPAC name of methyl (1R,2E)-2-benzylidene-1-(4-bromophenyl)cyclopropane-1-carboxylate (CID 102295275) is methyl (1R,2E)-2-benzylidene-1-(4-bromophenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl (1R,2E)-2-benzylidene-1-(4-bromophenyl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl (1R,2E)-2-benzylidene-1-(4-bromophenyl)cyclopropane-1-carboxylate is COC(=O)[C@]1(c2ccc(Br)cc2)C/C1=C\c1ccccc1.
What is the InChIKey of methyl (1R,2E)-2-benzylidene-1-(4-bromophenyl)cyclopropane-1-carboxylate?
The InChIKey is FBDZGOPOAXHBEO-OTMARIDSSA-N. The full InChI is InChI=1S/C18H15BrO2/c1-21-17(20)18(14-7-9-16(19)10-8-14)12-15(18)11-13-5-3-2-4-6-13/h2-11H,12H2,1H3/b15-11+/t18-/m0/s1.
What are the key properties of methyl (1R,2E)-2-benzylidene-1-(4-bromophenyl)cyclopropane-1-carboxylate?
methyl (1R,2E)-2-benzylidene-1-(4-bromophenyl)cyclopropane-1-carboxylate has a molecular weight of 343.22 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,2E)-2-benzylidene-1-(4-bromophenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 102295275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).