2-(4-chloro-2,3-dimethoxy-6-methylphenyl)morpholine

C13H18ClNO3 — CID 117432137

IUPAC2-(4-chloro-2,3-dimethoxy-6-methylphenyl)morpholine
SMILESCOc1c(Cl)cc(C)c(C2CNCCO2)c1OC
InChIInChI=1S/C13H18ClNO3/c1-8-6-9(14)12(16-2)13(17-3)11(8)10-7-15-4-5-18-10/h6,10,15H,4-5,7H2,1-3H3
InChIKeyIHCVHQXEAPVVNL-UHFFFAOYSA-N
MW271.74 g/mol
LogP2.33
Rot. Bonds3

About 2-(4-chloro-2,3-dimethoxy-6-methylphenyl)morpholine

2-(4-chloro-2,3-dimethoxy-6-methylphenyl)morpholine (PubChem CID 117432137) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is 2-(4-chloro-2,3-dimethoxy-6-methylphenyl)morpholine.

Molecular Properties

Compound Name2-(4-chloro-2,3-dimethoxy-6-methylphenyl)morpholine
PubChem CID117432137
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC Name2-(4-chloro-2,3-dimethoxy-6-methylphenyl)morpholine
SMILESCOc1c(Cl)cc(C)c(C2CNCCO2)c1OC
InChIInChI=1S/C13H18ClNO3/c1-8-6-9(14)12(16-2)13(17-3)11(8)10-7-15-4-5-18-10/h6,10,15H,4-5,7H2,1-3H3
InChIKeyIHCVHQXEAPVVNL-UHFFFAOYSA-N
XLogP2.33
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-bromo-2-methoxy-4,6-dimethylphenyl)morpholine
CID 117483768
2-(3-chloro-2-methoxy-4,5-dimethylphenyl)morpholine
CID 115004570
3-chloro-6-methoxy-4-methyl-2-morpholin-2-ylphenol
CID 117397860
3-chloro-4,5-dimethoxy-2-morpholin-2-ylphenol
CID 117437042
2-(5-chloro-4-methoxy-2-methylphenyl)morpholine
CID 82293184
4-chloro-2-methoxy-3,5-dimethyl-6-morpholin-2-ylphenol
CID 117432136
2-(3-chloro-4-methoxy-5-propan-2-ylphenyl)morpholine
CID 117427563
2-(4-tert-butyl-2,6-dimethylphenyl)morpholine
CID 82296070
2-(2-methoxy-3-methyl-6-methylsulfanylphenyl)morpholine
CID 117386739

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,3-dimethoxy-6-methylphenyl)morpholine?
The IUPAC name of 2-(4-chloro-2,3-dimethoxy-6-methylphenyl)morpholine (CID 117432137) is 2-(4-chloro-2,3-dimethoxy-6-methylphenyl)morpholine.
What is the SMILES notation for 2-(4-chloro-2,3-dimethoxy-6-methylphenyl)morpholine?
The canonical SMILES for 2-(4-chloro-2,3-dimethoxy-6-methylphenyl)morpholine is COc1c(Cl)cc(C)c(C2CNCCO2)c1OC.
What is the InChIKey of 2-(4-chloro-2,3-dimethoxy-6-methylphenyl)morpholine?
The InChIKey is IHCVHQXEAPVVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3/c1-8-6-9(14)12(16-2)13(17-3)11(8)10-7-15-4-5-18-10/h6,10,15H,4-5,7H2,1-3H3.
What are the key properties of 2-(4-chloro-2,3-dimethoxy-6-methylphenyl)morpholine?
2-(4-chloro-2,3-dimethoxy-6-methylphenyl)morpholine has a molecular weight of 271.74 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2,3-dimethoxy-6-methylphenyl)morpholine is sourced from PubChem (CID 117432137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).