4-[2-[1-[(5-chlorofuran-2-yl)methyl]piperidin-2-yl]ethyl]phenol

C18H22ClNO2 — CID 77085815

IUPAC4-[2-[1-[(5-chlorofuran-2-yl)methyl]piperidin-2-yl]ethyl]phenol
SMILESOc1ccc(CCC2CCCCN2Cc2ccc(Cl)o2)cc1
InChIInChI=1S/C18H22ClNO2/c19-18-11-10-17(22-18)13-20-12-2-1-3-15(20)7-4-14-5-8-16(21)9-6-14/h5-6,8-11,15,21H,1-4,7,12-13H2
InChIKeyDVMJIVWXYKKJDL-UHFFFAOYSA-N
MW319.83 g/mol
LogP4.63
Rot. Bonds5

About 4-[2-[1-[(5-chlorofuran-2-yl)methyl]piperidin-2-yl]ethyl]phenol

4-[2-[1-[(5-chlorofuran-2-yl)methyl]piperidin-2-yl]ethyl]phenol (PubChem CID 77085815) has the molecular formula C18H22ClNO2 and a molecular weight of 319.83 g/mol. Its IUPAC name is 4-[2-[1-[(5-chlorofuran-2-yl)methyl]piperidin-2-yl]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[1-[(5-chlorofuran-2-yl)methyl]piperidin-2-yl]ethyl]phenol
PubChem CID77085815
Molecular FormulaC18H22ClNO2
Molecular Weight319.83 g/mol
Exact Mass319.13
IUPAC Name4-[2-[1-[(5-chlorofuran-2-yl)methyl]piperidin-2-yl]ethyl]phenol
SMILESOc1ccc(CCC2CCCCN2Cc2ccc(Cl)o2)cc1
InChIInChI=1S/C18H22ClNO2/c19-18-11-10-17(22-18)13-20-12-2-1-3-15(20)7-4-14-5-8-16(21)9-6-14/h5-6,8-11,15,21H,1-4,7,12-13H2
InChIKeyDVMJIVWXYKKJDL-UHFFFAOYSA-N
XLogP4.63
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.83
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[2-[1-[(5-chlorofuran-2-yl)methyl]piperidin-2-yl]ethyl]phenol 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-[2-[1-[(5-chlorofuran-2-yl)methyl]piperidin-2-yl]ethyl]phenol?
The IUPAC name of 4-[2-[1-[(5-chlorofuran-2-yl)methyl]piperidin-2-yl]ethyl]phenol (CID 77085815) is 4-[2-[1-[(5-chlorofuran-2-yl)methyl]piperidin-2-yl]ethyl]phenol.
What is the SMILES notation for 4-[2-[1-[(5-chlorofuran-2-yl)methyl]piperidin-2-yl]ethyl]phenol?
The canonical SMILES for 4-[2-[1-[(5-chlorofuran-2-yl)methyl]piperidin-2-yl]ethyl]phenol is Oc1ccc(CCC2CCCCN2Cc2ccc(Cl)o2)cc1.
What is the InChIKey of 4-[2-[1-[(5-chlorofuran-2-yl)methyl]piperidin-2-yl]ethyl]phenol?
The InChIKey is DVMJIVWXYKKJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO2/c19-18-11-10-17(22-18)13-20-12-2-1-3-15(20)7-4-14-5-8-16(21)9-6-14/h5-6,8-11,15,21H,1-4,7,12-13H2.
What are the key properties of 4-[2-[1-[(5-chlorofuran-2-yl)methyl]piperidin-2-yl]ethyl]phenol?
4-[2-[1-[(5-chlorofuran-2-yl)methyl]piperidin-2-yl]ethyl]phenol has a molecular weight of 319.83 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-[(5-chlorofuran-2-yl)methyl]piperidin-2-yl]ethyl]phenol is sourced from PubChem (CID 77085815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).