4-(1-bicyclo[2.2.1]heptanyl)-2,6-dichlorophenol

C13H14Cl2O — CID 172737730

IUPAC4-(1-bicyclo[2.2.1]heptanyl)-2,6-dichlorophenol
SMILESOc1c(Cl)cc(C23CCC(CC2)C3)cc1Cl
InChIInChI=1S/C13H14Cl2O/c14-10-5-9(6-11(15)12(10)16)13-3-1-8(7-13)2-4-13/h5-6,8,16H,1-4,7H2
InChIKeyIRCKUMTUHDSLIU-UHFFFAOYSA-N
MW257.16 g/mol
LogP4.53
Rot. Bonds1

About 4-(1-bicyclo[2.2.1]heptanyl)-2,6-dichlorophenol

4-(1-bicyclo[2.2.1]heptanyl)-2,6-dichlorophenol (PubChem CID 172737730) has the molecular formula C13H14Cl2O and a molecular weight of 257.16 g/mol. Its IUPAC name is 4-(1-bicyclo[2.2.1]heptanyl)-2,6-dichlorophenol.

Molecular Properties

Compound Name4-(1-bicyclo[2.2.1]heptanyl)-2,6-dichlorophenol
PubChem CID172737730
Molecular FormulaC13H14Cl2O
Molecular Weight257.16 g/mol
Exact Mass256.04
IUPAC Name4-(1-bicyclo[2.2.1]heptanyl)-2,6-dichlorophenol
SMILESOc1c(Cl)cc(C23CCC(CC2)C3)cc1Cl
InChIInChI=1S/C13H14Cl2O/c14-10-5-9(6-11(15)12(10)16)13-3-1-8(7-13)2-4-13/h5-6,8,16H,1-4,7H2
InChIKeyIRCKUMTUHDSLIU-UHFFFAOYSA-N
XLogP4.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.16
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(1-bicyclo[2.2.1]heptanyl)-2,6-dichlorophenol 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 4-(1-bicyclo[2.2.1]heptanyl)-2,6-dichlorophenol?
The IUPAC name of 4-(1-bicyclo[2.2.1]heptanyl)-2,6-dichlorophenol (CID 172737730) is 4-(1-bicyclo[2.2.1]heptanyl)-2,6-dichlorophenol.
What is the SMILES notation for 4-(1-bicyclo[2.2.1]heptanyl)-2,6-dichlorophenol?
The canonical SMILES for 4-(1-bicyclo[2.2.1]heptanyl)-2,6-dichlorophenol is Oc1c(Cl)cc(C23CCC(CC2)C3)cc1Cl.
What is the InChIKey of 4-(1-bicyclo[2.2.1]heptanyl)-2,6-dichlorophenol?
The InChIKey is IRCKUMTUHDSLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2O/c14-10-5-9(6-11(15)12(10)16)13-3-1-8(7-13)2-4-13/h5-6,8,16H,1-4,7H2.
What are the key properties of 4-(1-bicyclo[2.2.1]heptanyl)-2,6-dichlorophenol?
4-(1-bicyclo[2.2.1]heptanyl)-2,6-dichlorophenol has a molecular weight of 257.16 g/mol, XLogP of 4.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-bicyclo[2.2.1]heptanyl)-2,6-dichlorophenol is sourced from PubChem (CID 172737730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).