2-[2-(4-bromophenyl)cyclohexyl]acetic acid

C14H17BrO2 — CID 82251834

IUPAC2-[2-(4-bromophenyl)cyclohexyl]acetic acid
SMILESO=C(O)CC1CCCCC1c1ccc(Br)cc1
InChIInChI=1S/C14H17BrO2/c15-12-7-5-10(6-8-12)13-4-2-1-3-11(13)9-14(16)17/h5-8,11,13H,1-4,9H2,(H,16,17)
InChIKeyRQIWRBLNGMAHNE-UHFFFAOYSA-N
MW297.19 g/mol
LogP4.20
Rot. Bonds3

About 2-[2-(4-bromophenyl)cyclohexyl]acetic acid

2-[2-(4-bromophenyl)cyclohexyl]acetic acid (PubChem CID 82251834) has the molecular formula C14H17BrO2 and a molecular weight of 297.19 g/mol. Its IUPAC name is 2-[2-(4-bromophenyl)cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-bromophenyl)cyclohexyl]acetic acid
PubChem CID82251834
Molecular FormulaC14H17BrO2
Molecular Weight297.19 g/mol
Exact Mass296.04
IUPAC Name2-[2-(4-bromophenyl)cyclohexyl]acetic acid
SMILESO=C(O)CC1CCCCC1c1ccc(Br)cc1
InChIInChI=1S/C14H17BrO2/c15-12-7-5-10(6-8-12)13-4-2-1-3-11(13)9-14(16)17/h5-8,11,13H,1-4,9H2,(H,16,17)
InChIKeyRQIWRBLNGMAHNE-UHFFFAOYSA-N
XLogP4.20
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[2-(4-bromophenyl)cyclohexyl]acetic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenyl)cyclohexyl]acetic acid?
The IUPAC name of 2-[2-(4-bromophenyl)cyclohexyl]acetic acid (CID 82251834) is 2-[2-(4-bromophenyl)cyclohexyl]acetic acid.
What is the SMILES notation for 2-[2-(4-bromophenyl)cyclohexyl]acetic acid?
The canonical SMILES for 2-[2-(4-bromophenyl)cyclohexyl]acetic acid is O=C(O)CC1CCCCC1c1ccc(Br)cc1.
What is the InChIKey of 2-[2-(4-bromophenyl)cyclohexyl]acetic acid?
The InChIKey is RQIWRBLNGMAHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrO2/c15-12-7-5-10(6-8-12)13-4-2-1-3-11(13)9-14(16)17/h5-8,11,13H,1-4,9H2,(H,16,17).
What are the key properties of 2-[2-(4-bromophenyl)cyclohexyl]acetic acid?
2-[2-(4-bromophenyl)cyclohexyl]acetic acid has a molecular weight of 297.19 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenyl)cyclohexyl]acetic acid is sourced from PubChem (CID 82251834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).