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

C13H15BrO2 — CID 71385887

IUPACtrans-(1R,2R)-2-(4-bromophenyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CCCC[C@H]1c1ccc(Br)cc1
InChIInChI=1S/C13H15BrO2/c14-10-7-5-9(6-8-10)11-3-1-2-4-12(11)13(15)16/h5-8,11-12H,1-4H2,(H,15,16)/t11-,12+/m0/s1
InChIKeyLJFIESADSDUNKU-NWDGAFQWSA-N
MW283.16 g/mol
LogP3.81
Rot. Bonds2

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

trans-(1R,2R)-2-(4-bromophenyl)cyclohexane-1-carboxylic acid (PubChem CID 71385887) has the molecular formula C13H15BrO2 and a molecular weight of 283.16 g/mol. Its IUPAC name is trans-(1R,2R)-2-(4-bromophenyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(4-bromophenyl)cyclohexane-1-carboxylic acid
PubChem CID71385887
Molecular FormulaC13H15BrO2
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC Nametrans-(1R,2R)-2-(4-bromophenyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CCCC[C@H]1c1ccc(Br)cc1
InChIInChI=1S/C13H15BrO2/c14-10-7-5-9(6-8-10)11-3-1-2-4-12(11)13(15)16/h5-8,11-12H,1-4H2,(H,15,16)/t11-,12+/m0/s1
InChIKeyLJFIESADSDUNKU-NWDGAFQWSA-N
XLogP3.81
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1R,2R)-2-(4-methylphenyl)cyclohexane-1-carboxylic acid
CID 54256967
cis-(1S,2R)-2-(4-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 91536738
2-(4-bromophenyl)-4-oxocyclohexane-1-carboxylic acid
CID 77284529
2-[4-(2-oxopropanoyl)phenyl]cyclohexane-1-carboxylic acid
CID 68735067
2-(4-nitrophenyl)cycloheptane-1-carboxylic acid
CID 82246550
2-[4-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid
CID 81007862
2-[2-(4-bromophenyl)cyclohexyl]acetic acid
CID 82251834
(2R)-2-(4-bromophenyl)-4,4-difluorocyclohexane-1-carboxylic acid
CID 172618502
(2R,3R)-2-(4-bromophenyl)oxane-3-carboxylic acid
CID 67311252
trans-(1R,2R)-2-[4-(acetyloxymethyl)phenyl]cyclohexane-1-carboxylic acid
CID 59111315
2-(5-bromo-2-fluorophenyl)cycloheptane-1-carboxylic acid
CID 81008326
4-(4-bromophenyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 53398064

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(4-bromophenyl)cyclohexane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-(4-bromophenyl)cyclohexane-1-carboxylic acid (CID 71385887) is trans-(1R,2R)-2-(4-bromophenyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-(4-bromophenyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-(4-bromophenyl)cyclohexane-1-carboxylic acid is O=C(O)[C@@H]1CCCC[C@H]1c1ccc(Br)cc1.
What is the InChIKey of trans-(1R,2R)-2-(4-bromophenyl)cyclohexane-1-carboxylic acid?
The InChIKey is LJFIESADSDUNKU-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H15BrO2/c14-10-7-5-9(6-8-10)11-3-1-2-4-12(11)13(15)16/h5-8,11-12H,1-4H2,(H,15,16)/t11-,12+/m0/s1.
What are the key properties of trans-(1R,2R)-2-(4-bromophenyl)cyclohexane-1-carboxylic acid?
trans-(1R,2R)-2-(4-bromophenyl)cyclohexane-1-carboxylic acid has a molecular weight of 283.16 g/mol, XLogP of 3.81, 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-(4-bromophenyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 71385887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).