[2-[2-(4-bromophenoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methanol

C16H21BrO2 — CID 66026056

IUPAC[2-[2-(4-bromophenoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methanol
SMILESOCC1(CCOc2ccc(Br)cc2)CC2CCC1C2
InChIInChI=1S/C16H21BrO2/c17-14-3-5-15(6-4-14)19-8-7-16(11-18)10-12-1-2-13(16)9-12/h3-6,12-13,18H,1-2,7-11H2
InChIKeyJSJLMNUXNKIBHM-UHFFFAOYSA-N
MW325.25 g/mol
LogP4.02
Rot. Bonds5

About [2-[2-(4-bromophenoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methanol

[2-[2-(4-bromophenoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methanol (PubChem CID 66026056) has the molecular formula C16H21BrO2 and a molecular weight of 325.25 g/mol. Its IUPAC name is [2-[2-(4-bromophenoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methanol.

Molecular Properties

Compound Name[2-[2-(4-bromophenoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methanol
PubChem CID66026056
Molecular FormulaC16H21BrO2
Molecular Weight325.25 g/mol
Exact Mass324.07
IUPAC Name[2-[2-(4-bromophenoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methanol
SMILESOCC1(CCOc2ccc(Br)cc2)CC2CCC1C2
InChIInChI=1S/C16H21BrO2/c17-14-3-5-15(6-4-14)19-8-7-16(11-18)10-12-1-2-13(16)9-12/h3-6,12-13,18H,1-2,7-11H2
InChIKeyJSJLMNUXNKIBHM-UHFFFAOYSA-N
XLogP4.02
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-[2-(4-bromophenoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methanol 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-bromophenoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methanol?
The IUPAC name of [2-[2-(4-bromophenoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methanol (CID 66026056) is [2-[2-(4-bromophenoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methanol.
What is the SMILES notation for [2-[2-(4-bromophenoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methanol?
The canonical SMILES for [2-[2-(4-bromophenoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methanol is OCC1(CCOc2ccc(Br)cc2)CC2CCC1C2.
What is the InChIKey of [2-[2-(4-bromophenoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methanol?
The InChIKey is JSJLMNUXNKIBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrO2/c17-14-3-5-15(6-4-14)19-8-7-16(11-18)10-12-1-2-13(16)9-12/h3-6,12-13,18H,1-2,7-11H2.
What are the key properties of [2-[2-(4-bromophenoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methanol?
[2-[2-(4-bromophenoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methanol has a molecular weight of 325.25 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-bromophenoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methanol is sourced from PubChem (CID 66026056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).