trans-(1R,2R)-2-(3-bromo-5-methylphenyl)cyclopropane-1-carboxylic acid

C11H11BrO2 — CID 154832497

IUPACtrans-(1R,2R)-2-(3-bromo-5-methylphenyl)cyclopropane-1-carboxylic acid
SMILESCc1cc(Br)cc([C@@H]2C[C@H]2C(=O)O)c1
InChIInChI=1S/C11H11BrO2/c1-6-2-7(4-8(12)3-6)9-5-10(9)11(13)14/h2-4,9-10H,5H2,1H3,(H,13,14)/t9-,10+/m0/s1
InChIKeyAHFCQMWHWIMAFS-VHSXEESVSA-N
MW255.11 g/mol
LogP2.95
Rot. Bonds2

About trans-(1R,2R)-2-(3-bromo-5-methylphenyl)cyclopropane-1-carboxylic acid

trans-(1R,2R)-2-(3-bromo-5-methylphenyl)cyclopropane-1-carboxylic acid (PubChem CID 154832497) has the molecular formula C11H11BrO2 and a molecular weight of 255.11 g/mol. Its IUPAC name is trans-(1R,2R)-2-(3-bromo-5-methylphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(3-bromo-5-methylphenyl)cyclopropane-1-carboxylic acid
PubChem CID154832497
Molecular FormulaC11H11BrO2
Molecular Weight255.11 g/mol
Exact Mass253.99
IUPAC Nametrans-(1R,2R)-2-(3-bromo-5-methylphenyl)cyclopropane-1-carboxylic acid
SMILESCc1cc(Br)cc([C@@H]2C[C@H]2C(=O)O)c1
InChIInChI=1S/C11H11BrO2/c1-6-2-7(4-8(12)3-6)9-5-10(9)11(13)14/h2-4,9-10H,5H2,1H3,(H,13,14)/t9-,10+/m0/s1
InChIKeyAHFCQMWHWIMAFS-VHSXEESVSA-N
XLogP2.95
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1S,2S)-2-(3-methylphenyl)cyclopropane-1-carboxylic acid
CID 28912189
2-(3,5-dimethylphenyl)cyclopropane-1-carboxamide
CID 155942818
2-(4-methylphenyl)cyclopropane-1-carboxylic acid
CID 23423017
2-(5-bromo-2-methylphenyl)cyclopropane-1-carboxylic acid
CID 116962934
cis-(1R,2S)-2-(3,4-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 51888152
trans-(1S,2S)-2-(3,5-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 93299452
trans-(1R,2R)-2-(3,4,5-trifluorophenyl)cyclopropane-1-carboxylic acid
CID 95003995
trans-(1R,2R)-2-(4-bromothiophen-2-yl)cyclopropane-1-carboxylic acid
CID 96662930
ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346
2-(4-hydroxy-3,5-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 53275991
trans-(1S,2S)-2-(2,5-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 94240840
tert-butyl 4-(3-bromo-5-methylphenyl)-3-methylpiperidine-1-carboxylate
CID 172993588

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(3-bromo-5-methylphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-(3-bromo-5-methylphenyl)cyclopropane-1-carboxylic acid (CID 154832497) is trans-(1R,2R)-2-(3-bromo-5-methylphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-(3-bromo-5-methylphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-(3-bromo-5-methylphenyl)cyclopropane-1-carboxylic acid is Cc1cc(Br)cc([C@@H]2C[C@H]2C(=O)O)c1.
What is the InChIKey of trans-(1R,2R)-2-(3-bromo-5-methylphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is AHFCQMWHWIMAFS-VHSXEESVSA-N. The full InChI is InChI=1S/C11H11BrO2/c1-6-2-7(4-8(12)3-6)9-5-10(9)11(13)14/h2-4,9-10H,5H2,1H3,(H,13,14)/t9-,10+/m0/s1.
What are the key properties of trans-(1R,2R)-2-(3-bromo-5-methylphenyl)cyclopropane-1-carboxylic acid?
trans-(1R,2R)-2-(3-bromo-5-methylphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 255.11 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(3-bromo-5-methylphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 154832497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).