cis-(1R,2S)-1-(4-bromophenyl)cyclopropane-1,2-dicarboxylic acid

C11H9BrO4 — CID 71482962

IUPACcis-(1R,2S)-1-(4-bromophenyl)cyclopropane-1,2-dicarboxylic acid
SMILESO=C(O)[C@H]1C[C@]1(C(=O)O)c1ccc(Br)cc1
InChIInChI=1S/C11H9BrO4/c12-7-3-1-6(2-4-7)11(10(15)16)5-8(11)9(13)14/h1-4,8H,5H2,(H,13,14)(H,15,16)/t8-,11+/m1/s1
InChIKeyWYQDSTIRWBDWTB-KCJUWKMLSA-N
MW285.09 g/mol
LogP1.88
Rot. Bonds3

About cis-(1R,2S)-1-(4-bromophenyl)cyclopropane-1,2-dicarboxylic acid

cis-(1R,2S)-1-(4-bromophenyl)cyclopropane-1,2-dicarboxylic acid (PubChem CID 71482962) has the molecular formula C11H9BrO4 and a molecular weight of 285.09 g/mol. Its IUPAC name is cis-(1R,2S)-1-(4-bromophenyl)cyclopropane-1,2-dicarboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-1-(4-bromophenyl)cyclopropane-1,2-dicarboxylic acid
PubChem CID71482962
Molecular FormulaC11H9BrO4
Molecular Weight285.09 g/mol
Exact Mass283.97
IUPAC Namecis-(1R,2S)-1-(4-bromophenyl)cyclopropane-1,2-dicarboxylic acid
SMILESO=C(O)[C@H]1C[C@]1(C(=O)O)c1ccc(Br)cc1
InChIInChI=1S/C11H9BrO4/c12-7-3-1-6(2-4-7)11(10(15)16)5-8(11)9(13)14/h1-4,8H,5H2,(H,13,14)(H,15,16)/t8-,11+/m1/s1
InChIKeyWYQDSTIRWBDWTB-KCJUWKMLSA-N
XLogP1.88
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.09
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,2R)-1-(4-methylphenyl)cyclopropane-1,2-dicarboxylic acid
CID 12719796
1-(4-tert-butylphenyl)cyclopropane-1,2-dicarboxylic acid
CID 12719789
trans-(1R,2S)-1-(4-bromophenyl)-2-cyclopentylcyclopropane-1-carboxylic acid
CID 101397995
1-(4-bromophenyl)-3-hydroxycyclobutane-1-carboxylic acid
CID 58216595
1-(3,4-dihydro-2H-chromen-6-yl)cyclopropane-1,2-dicarboxylic acid
CID 116858003
cis-(1R,2R)-2-bromo-2-(4-bromophenyl)cyclohexane-1-carboxylic acid
CID 134892462
5-(4-bromophenyl)spiro[2.3]hexane-5-carboxylic acid
CID 65008275
1-(3-bromophenyl)-2-methylcyclopropane-1-carboxylic acid
CID 83488510
2-(4-bromophenyl)-1-carbamoylcyclopropane-1-carboxylic acid
CID 68925977
(1S)-2,2-bis(4-fluorophenyl)cyclopropane-1-carboxylic acid
CID 129382428
1-(2-methyl-1H-indol-3-yl)cyclopropane-1,2-dicarboxylic acid
CID 116857995
trans-(1S,2S)-1-(4-tert-butylphenyl)-2-(3,4-dichlorobenzoyl)cyclopropane-1-carboxylic acid
CID 174199906

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-1-(4-bromophenyl)cyclopropane-1,2-dicarboxylic acid?
The IUPAC name of cis-(1R,2S)-1-(4-bromophenyl)cyclopropane-1,2-dicarboxylic acid (CID 71482962) is cis-(1R,2S)-1-(4-bromophenyl)cyclopropane-1,2-dicarboxylic acid.
What is the SMILES notation for cis-(1R,2S)-1-(4-bromophenyl)cyclopropane-1,2-dicarboxylic acid?
The canonical SMILES for cis-(1R,2S)-1-(4-bromophenyl)cyclopropane-1,2-dicarboxylic acid is O=C(O)[C@H]1C[C@]1(C(=O)O)c1ccc(Br)cc1.
What is the InChIKey of cis-(1R,2S)-1-(4-bromophenyl)cyclopropane-1,2-dicarboxylic acid?
The InChIKey is WYQDSTIRWBDWTB-KCJUWKMLSA-N. The full InChI is InChI=1S/C11H9BrO4/c12-7-3-1-6(2-4-7)11(10(15)16)5-8(11)9(13)14/h1-4,8H,5H2,(H,13,14)(H,15,16)/t8-,11+/m1/s1.
What are the key properties of cis-(1R,2S)-1-(4-bromophenyl)cyclopropane-1,2-dicarboxylic acid?
cis-(1R,2S)-1-(4-bromophenyl)cyclopropane-1,2-dicarboxylic acid has a molecular weight of 285.09 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-1-(4-bromophenyl)cyclopropane-1,2-dicarboxylic acid is sourced from PubChem (CID 71482962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).