trans-(1R,2S)-1-(4-bromophenyl)-2-cyclopentylcyclopropane-1-carboxylic acid

C15H17BrO2 — CID 101397995

IUPACtrans-(1R,2S)-1-(4-bromophenyl)-2-cyclopentylcyclopropane-1-carboxylic acid
SMILESO=C(O)[C@]1(c2ccc(Br)cc2)C[C@H]1C1CCCC1
InChIInChI=1S/C15H17BrO2/c16-12-7-5-11(6-8-12)15(14(17)18)9-13(15)10-3-1-2-4-10/h5-8,10,13H,1-4,9H2,(H,17,18)/t13-,15-/m0/s1
InChIKeyGZIVAJYVKNPYCZ-ZFWWWQNUSA-N
MW309.20 g/mol
LogP3.98
Rot. Bonds3

About trans-(1R,2S)-1-(4-bromophenyl)-2-cyclopentylcyclopropane-1-carboxylic acid

trans-(1R,2S)-1-(4-bromophenyl)-2-cyclopentylcyclopropane-1-carboxylic acid (PubChem CID 101397995) has the molecular formula C15H17BrO2 and a molecular weight of 309.20 g/mol. Its IUPAC name is trans-(1R,2S)-1-(4-bromophenyl)-2-cyclopentylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2S)-1-(4-bromophenyl)-2-cyclopentylcyclopropane-1-carboxylic acid
PubChem CID101397995
Molecular FormulaC15H17BrO2
Molecular Weight309.20 g/mol
Exact Mass308.04
IUPAC Nametrans-(1R,2S)-1-(4-bromophenyl)-2-cyclopentylcyclopropane-1-carboxylic acid
SMILESO=C(O)[C@]1(c2ccc(Br)cc2)C[C@H]1C1CCCC1
InChIInChI=1S/C15H17BrO2/c16-12-7-5-11(6-8-12)15(14(17)18)9-13(15)10-3-1-2-4-10/h5-8,10,13H,1-4,9H2,(H,17,18)/t13-,15-/m0/s1
InChIKeyGZIVAJYVKNPYCZ-ZFWWWQNUSA-N
XLogP3.98
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclohexyl-1-(4-methylsulfonylphenyl)cyclopropane-1-carboxylic acid
CID 67084449
cis-(1R,2S)-1-(4-bromophenyl)cyclopropane-1,2-dicarboxylic acid
CID 71482962
2-cyclopentyl-1-(5-methylsulfonylthiophen-3-yl)cyclopropane-1-carboxylic acid
CID 67484599
1-[(1R,2S)-2-cyclohexyl-1-(4-methylsulfonylphenyl)cyclopropyl]ethanone
CID 67953738
1-(4-bromophenyl)-3-hydroxycyclobutane-1-carboxylic acid
CID 58216595
cis-(1R,2R)-2-bromo-2-(4-bromophenyl)cyclohexane-1-carboxylic acid
CID 134892462
1-(3-bromophenyl)-2-methylcyclopropane-1-carboxylic acid
CID 83488510
2-(hydroxymethyl)-1-phenylcyclohexane-1-carboxylic acid
CID 175258328
(1R,5R)-6-phenylbicyclo[3.2.0]heptan-6-ol
CID 135044945
(1R,2R,4S)-2-phenylbicyclo[2.2.1]heptane-2-carboxylic acid
CID 93484070
cis-(1S,2R)-2-(hydroxymethyl)-1-phenylcyclopropane-1-carboxylic acid
CID 10954383
1-(4-bromophenyl)-2-cyclobutylethanone
CID 65458564

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-1-(4-bromophenyl)-2-cyclopentylcyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2S)-1-(4-bromophenyl)-2-cyclopentylcyclopropane-1-carboxylic acid (CID 101397995) is trans-(1R,2S)-1-(4-bromophenyl)-2-cyclopentylcyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2S)-1-(4-bromophenyl)-2-cyclopentylcyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2S)-1-(4-bromophenyl)-2-cyclopentylcyclopropane-1-carboxylic acid is O=C(O)[C@]1(c2ccc(Br)cc2)C[C@H]1C1CCCC1.
What is the InChIKey of trans-(1R,2S)-1-(4-bromophenyl)-2-cyclopentylcyclopropane-1-carboxylic acid?
The InChIKey is GZIVAJYVKNPYCZ-ZFWWWQNUSA-N. The full InChI is InChI=1S/C15H17BrO2/c16-12-7-5-11(6-8-12)15(14(17)18)9-13(15)10-3-1-2-4-10/h5-8,10,13H,1-4,9H2,(H,17,18)/t13-,15-/m0/s1.
What are the key properties of trans-(1R,2S)-1-(4-bromophenyl)-2-cyclopentylcyclopropane-1-carboxylic acid?
trans-(1R,2S)-1-(4-bromophenyl)-2-cyclopentylcyclopropane-1-carboxylic acid has a molecular weight of 309.20 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-1-(4-bromophenyl)-2-cyclopentylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 101397995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).