[(1S,2R)-2-(2-bromo-5-methylphenyl)cyclopropyl]methanol;carbon dioxide

C12H13BrO3 — CID 161356330

IUPAC[(1S,2R)-2-(2-bromo-5-methylphenyl)cyclopropyl]methanol;carbon dioxide
SMILESCc1ccc(Br)c([C@@H]2C[C@@H]2CO)c1.O=C=O
InChIInChI=1S/C11H13BrO.CO2/c1-7-2-3-11(12)10(4-7)9-5-8(9)6-13;2-1-3/h2-4,8-9,13H,5-6H2,1H3;/t8-,9-;/m1./s1
InChIKeyVOPDNSVZTLGHQW-VTLYIQCISA-N
MW285.14 g/mol
LogP2.27
Rot. Bonds2

About [(1S,2R)-2-(2-bromo-5-methylphenyl)cyclopropyl]methanol;carbon dioxide

[(1S,2R)-2-(2-bromo-5-methylphenyl)cyclopropyl]methanol;carbon dioxide (PubChem CID 161356330) has the molecular formula C12H13BrO3 and a molecular weight of 285.14 g/mol. Its IUPAC name is [(1S,2R)-2-(2-bromo-5-methylphenyl)cyclopropyl]methanol;carbon dioxide.

Molecular Properties

Compound Name[(1S,2R)-2-(2-bromo-5-methylphenyl)cyclopropyl]methanol;carbon dioxide
PubChem CID161356330
Molecular FormulaC12H13BrO3
Molecular Weight285.14 g/mol
Exact Mass284.00
IUPAC Name[(1S,2R)-2-(2-bromo-5-methylphenyl)cyclopropyl]methanol;carbon dioxide
SMILESCc1ccc(Br)c([C@@H]2C[C@@H]2CO)c1.O=C=O
InChIInChI=1S/C11H13BrO.CO2/c1-7-2-3-11(12)10(4-7)9-5-8(9)6-13;2-1-3/h2-4,8-9,13H,5-6H2,1H3;/t8-,9-;/m1./s1
InChIKeyVOPDNSVZTLGHQW-VTLYIQCISA-N
XLogP2.27
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(1S,2R)-2-(2-bromo-5-methylphenyl)cyclopropyl]methanol;carbon dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1R,2R)-2-(4-methyl-2-pyridinyl)cyclopropyl]methanol
CID 146166172
2-[(1R,2R)-2-(aminomethyl)cyclopropyl]-4-methylphenol
CID 130889443
1-bromo-2-cyclohexyl-4-methylbenzene
CID 117104268
3-(2-bromo-5-methylphenyl)-8-(hydroxymethyl)-1-azaspiro[4.5]decane-2,4-dione
CID 91082578
[2-(5-bromofuran-2-yl)cyclopropyl]methanol
CID 81358732
[5-(2-bromo-5-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117455094
[(1S,2S)-2-[5-fluoro-1-(4-methylphenyl)sulfonylindol-3-yl]cyclopropyl]methanol
CID 23518915
[(1S,2S)-2-(6-methylpyridazin-3-yl)cyclopropyl]methanol
CID 89417332
3-(2-bromo-4-methylphenyl)prop-2-yn-1-ol
CID 169485829
[(3R,4R)-4-(2-chloro-4-methylphenyl)pyrrolidin-3-yl]methanol
CID 129493656
2-bromo-N-[(3-bromocyclobutyl)methyl]-N,5-dimethylbenzamide
CID 81117729
N-[[2-(2-bromo-5-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 114078028

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-(2-bromo-5-methylphenyl)cyclopropyl]methanol;carbon dioxide?
The IUPAC name of [(1S,2R)-2-(2-bromo-5-methylphenyl)cyclopropyl]methanol;carbon dioxide (CID 161356330) is [(1S,2R)-2-(2-bromo-5-methylphenyl)cyclopropyl]methanol;carbon dioxide.
What is the SMILES notation for [(1S,2R)-2-(2-bromo-5-methylphenyl)cyclopropyl]methanol;carbon dioxide?
The canonical SMILES for [(1S,2R)-2-(2-bromo-5-methylphenyl)cyclopropyl]methanol;carbon dioxide is Cc1ccc(Br)c([C@@H]2C[C@@H]2CO)c1.O=C=O.
What is the InChIKey of [(1S,2R)-2-(2-bromo-5-methylphenyl)cyclopropyl]methanol;carbon dioxide?
The InChIKey is VOPDNSVZTLGHQW-VTLYIQCISA-N. The full InChI is InChI=1S/C11H13BrO.CO2/c1-7-2-3-11(12)10(4-7)9-5-8(9)6-13;2-1-3/h2-4,8-9,13H,5-6H2,1H3;/t8-,9-;/m1./s1.
What are the key properties of [(1S,2R)-2-(2-bromo-5-methylphenyl)cyclopropyl]methanol;carbon dioxide?
[(1S,2R)-2-(2-bromo-5-methylphenyl)cyclopropyl]methanol;carbon dioxide has a molecular weight of 285.14 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-(2-bromo-5-methylphenyl)cyclopropyl]methanol;carbon dioxide is sourced from PubChem (CID 161356330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).