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

C11H11BrO3 — CID 93299464

IUPACtrans-(1R,2R)-2-(5-bromo-2-methoxyphenyl)cyclopropane-1-carboxylic acid
SMILESCOc1ccc(Br)cc1[C@@H]1C[C@H]1C(=O)O
InChIInChI=1S/C11H11BrO3/c1-15-10-3-2-6(12)4-8(10)7-5-9(7)11(13)14/h2-4,7,9H,5H2,1H3,(H,13,14)/t7-,9+/m0/s1
InChIKeyXGEZCVLASFCFPQ-IONNQARKSA-N
MW271.11 g/mol
LogP2.65
Rot. Bonds3

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

trans-(1R,2R)-2-(5-bromo-2-methoxyphenyl)cyclopropane-1-carboxylic acid (PubChem CID 93299464) has the molecular formula C11H11BrO3 and a molecular weight of 271.11 g/mol. Its IUPAC name is trans-(1R,2R)-2-(5-bromo-2-methoxyphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(5-bromo-2-methoxyphenyl)cyclopropane-1-carboxylic acid
PubChem CID93299464
Molecular FormulaC11H11BrO3
Molecular Weight271.11 g/mol
Exact Mass269.99
IUPAC Nametrans-(1R,2R)-2-(5-bromo-2-methoxyphenyl)cyclopropane-1-carboxylic acid
SMILESCOc1ccc(Br)cc1[C@@H]1C[C@H]1C(=O)O
InChIInChI=1S/C11H11BrO3/c1-15-10-3-2-6(12)4-8(10)7-5-9(7)11(13)14/h2-4,7,9H,5H2,1H3,(H,13,14)/t7-,9+/m0/s1
InChIKeyXGEZCVLASFCFPQ-IONNQARKSA-N
XLogP2.65
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(5-bromo-2-methoxyphenyl)cyclopropyl]ethanone
CID 43141135
2-(5-bromo-2-methylphenyl)cyclopropane-1-carboxylic acid
CID 116962934
3-(5-bromo-2-methoxyphenyl)piperazine-2-carboxylic acid
CID 116829366
2-(4-hydroxy-3,5-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 53275991
5-(5-bromo-2-methoxyphenyl)-4-methoxycarbonyl-4-methylpyrrolidine-2-carboxylic acid
CID 118435868
2-[(5-bromo-2-methoxyphenyl)-(dimethylamino)methyl]cyclopropane-1-carboxylic acid
CID 116908372
2-(5-chloro-4-methoxy-2-methylphenyl)cyclopropane-1-carboxylic acid
CID 82477382
trans-(1R,2R)-2-(4-fluoro-3-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 138987329
N-(5-bromo-2-methoxyphenyl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 55906811
2-(5-bromo-2-methoxyphenyl)aziridine
CID 82473824
2-(2-methoxy-5-methylphenyl)cycloheptane-1-carboxylic acid
CID 81008451
4-(2,5-dimethoxyphenyl)pyrrolidine-3-carboxylic acid
CID 63938447

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(5-bromo-2-methoxyphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-(5-bromo-2-methoxyphenyl)cyclopropane-1-carboxylic acid (CID 93299464) is trans-(1R,2R)-2-(5-bromo-2-methoxyphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-(5-bromo-2-methoxyphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-(5-bromo-2-methoxyphenyl)cyclopropane-1-carboxylic acid is COc1ccc(Br)cc1[C@@H]1C[C@H]1C(=O)O.
What is the InChIKey of trans-(1R,2R)-2-(5-bromo-2-methoxyphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is XGEZCVLASFCFPQ-IONNQARKSA-N. The full InChI is InChI=1S/C11H11BrO3/c1-15-10-3-2-6(12)4-8(10)7-5-9(7)11(13)14/h2-4,7,9H,5H2,1H3,(H,13,14)/t7-,9+/m0/s1.
What are the key properties of trans-(1R,2R)-2-(5-bromo-2-methoxyphenyl)cyclopropane-1-carboxylic acid?
trans-(1R,2R)-2-(5-bromo-2-methoxyphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 271.11 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(5-bromo-2-methoxyphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 93299464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).