4-chloro-2-methoxy-3,5-dimethyl-6-morpholin-2-ylphenol

C13H18ClNO3 — CID 117432136

IUPAC4-chloro-2-methoxy-3,5-dimethyl-6-morpholin-2-ylphenol
SMILESCOc1c(C)c(Cl)c(C)c(C2CNCCO2)c1O
InChIInChI=1S/C13H18ClNO3/c1-7-10(9-6-15-4-5-18-9)12(16)13(17-3)8(2)11(7)14/h9,15-16H,4-6H2,1-3H3
InChIKeyXPIOGWQRHRKLHL-UHFFFAOYSA-N
MW271.74 g/mol
LogP2.33
Rot. Bonds2

About 4-chloro-2-methoxy-3,5-dimethyl-6-morpholin-2-ylphenol

4-chloro-2-methoxy-3,5-dimethyl-6-morpholin-2-ylphenol (PubChem CID 117432136) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is 4-chloro-2-methoxy-3,5-dimethyl-6-morpholin-2-ylphenol.

Molecular Properties

Compound Name4-chloro-2-methoxy-3,5-dimethyl-6-morpholin-2-ylphenol
PubChem CID117432136
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC Name4-chloro-2-methoxy-3,5-dimethyl-6-morpholin-2-ylphenol
SMILESCOc1c(C)c(Cl)c(C)c(C2CNCCO2)c1O
InChIInChI=1S/C13H18ClNO3/c1-7-10(9-6-15-4-5-18-9)12(16)13(17-3)8(2)11(7)14/h9,15-16H,4-6H2,1-3H3
InChIKeyXPIOGWQRHRKLHL-UHFFFAOYSA-N
XLogP2.33
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-6-methoxy-4-methyl-2-morpholin-2-ylphenol
CID 117397860
2-methoxy-3,6-dimethyl-4-morpholin-2-ylphenol
CID 117346877
3-chloro-4,5-dimethoxy-2-morpholin-2-ylphenol
CID 117437042
2-(4-chloro-2,3-dimethoxy-6-methylphenyl)morpholine
CID 117432137
2-methoxy-5,6-dimethyl-3-morpholin-2-ylphenol
CID 117346862
4-chloro-3-methyl-2-morpholin-2-yl-6-propan-2-ylphenol
CID 117427567
6-methoxy-3-methyl-2-morpholin-2-ylphenol
CID 117319599
2-(5-chloro-3,4-dimethoxy-2-methylphenyl)morpholine
CID 117432130
2-(2,4-dimethoxy-3,6-dimethylphenyl)morpholine
CID 117381769
2-(6-chloro-2,3,4-trimethoxyphenyl)morpholine
CID 117464374
2-(3-chloro-2-methoxy-4,5-dimethylphenyl)morpholine
CID 115004570
4-bromo-6-fluoro-2-methoxy-3-morpholin-2-ylphenol
CID 117491098

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxy-3,5-dimethyl-6-morpholin-2-ylphenol?
The IUPAC name of 4-chloro-2-methoxy-3,5-dimethyl-6-morpholin-2-ylphenol (CID 117432136) is 4-chloro-2-methoxy-3,5-dimethyl-6-morpholin-2-ylphenol.
What is the SMILES notation for 4-chloro-2-methoxy-3,5-dimethyl-6-morpholin-2-ylphenol?
The canonical SMILES for 4-chloro-2-methoxy-3,5-dimethyl-6-morpholin-2-ylphenol is COc1c(C)c(Cl)c(C)c(C2CNCCO2)c1O.
What is the InChIKey of 4-chloro-2-methoxy-3,5-dimethyl-6-morpholin-2-ylphenol?
The InChIKey is XPIOGWQRHRKLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3/c1-7-10(9-6-15-4-5-18-9)12(16)13(17-3)8(2)11(7)14/h9,15-16H,4-6H2,1-3H3.
What are the key properties of 4-chloro-2-methoxy-3,5-dimethyl-6-morpholin-2-ylphenol?
4-chloro-2-methoxy-3,5-dimethyl-6-morpholin-2-ylphenol has a molecular weight of 271.74 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methoxy-3,5-dimethyl-6-morpholin-2-ylphenol is sourced from PubChem (CID 117432136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).