4-chloro-2-[1-(2,6-dimethylmorpholin-4-yl)ethyl]phenol

C14H20ClNO2 — CID 82974210

IUPAC4-chloro-2-[1-(2,6-dimethylmorpholin-4-yl)ethyl]phenol
SMILESCC1CN(C(C)c2cc(Cl)ccc2O)CC(C)O1
InChIInChI=1S/C14H20ClNO2/c1-9-7-16(8-10(2)18-9)11(3)13-6-12(15)4-5-14(13)17/h4-6,9-11,17H,7-8H2,1-3H3
InChIKeyKONDDRDUUWEYGS-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.22
Rot. Bonds2

About 4-chloro-2-[1-(2,6-dimethylmorpholin-4-yl)ethyl]phenol

4-chloro-2-[1-(2,6-dimethylmorpholin-4-yl)ethyl]phenol (PubChem CID 82974210) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 4-chloro-2-[1-(2,6-dimethylmorpholin-4-yl)ethyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[1-(2,6-dimethylmorpholin-4-yl)ethyl]phenol
PubChem CID82974210
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name4-chloro-2-[1-(2,6-dimethylmorpholin-4-yl)ethyl]phenol
SMILESCC1CN(C(C)c2cc(Cl)ccc2O)CC(C)O1
InChIInChI=1S/C14H20ClNO2/c1-9-7-16(8-10(2)18-9)11(3)13-6-12(15)4-5-14(13)17/h4-6,9-11,17H,7-8H2,1-3H3
InChIKeyKONDDRDUUWEYGS-UHFFFAOYSA-N
XLogP3.22
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 4-chloro-2-[1-(2,6-dimethylmorpholin-4-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-chloro-2-[1-(2,6-dimethylmorpholin-4-yl)ethyl]phenol?
The IUPAC name of 4-chloro-2-[1-(2,6-dimethylmorpholin-4-yl)ethyl]phenol (CID 82974210) is 4-chloro-2-[1-(2,6-dimethylmorpholin-4-yl)ethyl]phenol.
What is the SMILES notation for 4-chloro-2-[1-(2,6-dimethylmorpholin-4-yl)ethyl]phenol?
The canonical SMILES for 4-chloro-2-[1-(2,6-dimethylmorpholin-4-yl)ethyl]phenol is CC1CN(C(C)c2cc(Cl)ccc2O)CC(C)O1.
What is the InChIKey of 4-chloro-2-[1-(2,6-dimethylmorpholin-4-yl)ethyl]phenol?
The InChIKey is KONDDRDUUWEYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-9-7-16(8-10(2)18-9)11(3)13-6-12(15)4-5-14(13)17/h4-6,9-11,17H,7-8H2,1-3H3.
What are the key properties of 4-chloro-2-[1-(2,6-dimethylmorpholin-4-yl)ethyl]phenol?
4-chloro-2-[1-(2,6-dimethylmorpholin-4-yl)ethyl]phenol has a molecular weight of 269.77 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[1-(2,6-dimethylmorpholin-4-yl)ethyl]phenol is sourced from PubChem (CID 82974210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).