3-chloro-6-methoxy-4-methyl-2-morpholin-2-ylphenol

C12H16ClNO3 — CID 117397860

IUPAC3-chloro-6-methoxy-4-methyl-2-morpholin-2-ylphenol
SMILESCOc1cc(C)c(Cl)c(C2CNCCO2)c1O
InChIInChI=1S/C12H16ClNO3/c1-7-5-8(16-2)12(15)10(11(7)13)9-6-14-3-4-17-9/h5,9,14-15H,3-4,6H2,1-2H3
InChIKeyCMTSDJLXWWQNHW-UHFFFAOYSA-N
MW257.72 g/mol
LogP2.02
Rot. Bonds2

About 3-chloro-6-methoxy-4-methyl-2-morpholin-2-ylphenol

3-chloro-6-methoxy-4-methyl-2-morpholin-2-ylphenol (PubChem CID 117397860) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 3-chloro-6-methoxy-4-methyl-2-morpholin-2-ylphenol.

Molecular Properties

Compound Name3-chloro-6-methoxy-4-methyl-2-morpholin-2-ylphenol
PubChem CID117397860
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC Name3-chloro-6-methoxy-4-methyl-2-morpholin-2-ylphenol
SMILESCOc1cc(C)c(Cl)c(C2CNCCO2)c1O
InChIInChI=1S/C12H16ClNO3/c1-7-5-8(16-2)12(15)10(11(7)13)9-6-14-3-4-17-9/h5,9,14-15H,3-4,6H2,1-2H3
InChIKeyCMTSDJLXWWQNHW-UHFFFAOYSA-N
XLogP2.02
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-chloro-6-methoxy-4-methyl-2-morpholin-2-ylphenol with MolForge

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

Launch Full Analysis

Related Compounds

6-methoxy-3-methyl-2-morpholin-2-ylphenol
CID 117319599
3-fluoro-6-methoxy-2-morpholin-2-ylphenol
CID 117326498
3-chloro-4,5-dimethoxy-2-morpholin-2-ylphenol
CID 117437042
2-(2,4-dimethoxy-3,6-dimethylphenyl)morpholine
CID 117381769
2-(5-chloro-4-methoxy-2-methylphenyl)morpholine
CID 82293184
2-chloro-6-methyl-4-morpholin-2-ylphenol
CID 84791758
2-(6-chloro-2,3,4-trimethoxyphenyl)morpholine
CID 117464374
4-chloro-2-methoxy-3,5-dimethyl-6-morpholin-2-ylphenol
CID 117432136
2-(4-chloro-2,3-dimethoxy-6-methylphenyl)morpholine
CID 117432137
4-bromo-2-methoxy-6-morpholin-2-ylphenol
CID 117464726
2-(2,4-dimethoxy-5-methylphenyl)morpholine
CID 117346886
2-(2-chloro-4,5-dimethoxyphenyl)morpholine
CID 117397861

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-methoxy-4-methyl-2-morpholin-2-ylphenol?
The IUPAC name of 3-chloro-6-methoxy-4-methyl-2-morpholin-2-ylphenol (CID 117397860) is 3-chloro-6-methoxy-4-methyl-2-morpholin-2-ylphenol.
What is the SMILES notation for 3-chloro-6-methoxy-4-methyl-2-morpholin-2-ylphenol?
The canonical SMILES for 3-chloro-6-methoxy-4-methyl-2-morpholin-2-ylphenol is COc1cc(C)c(Cl)c(C2CNCCO2)c1O.
What is the InChIKey of 3-chloro-6-methoxy-4-methyl-2-morpholin-2-ylphenol?
The InChIKey is CMTSDJLXWWQNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3/c1-7-5-8(16-2)12(15)10(11(7)13)9-6-14-3-4-17-9/h5,9,14-15H,3-4,6H2,1-2H3.
What are the key properties of 3-chloro-6-methoxy-4-methyl-2-morpholin-2-ylphenol?
3-chloro-6-methoxy-4-methyl-2-morpholin-2-ylphenol has a molecular weight of 257.72 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-methoxy-4-methyl-2-morpholin-2-ylphenol is sourced from PubChem (CID 117397860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).