2-(6-chloro-2,3,4-trimethoxyphenyl)morpholine

C13H18ClNO4 — CID 117464374

IUPAC2-(6-chloro-2,3,4-trimethoxyphenyl)morpholine
SMILESCOc1cc(Cl)c(C2CNCCO2)c(OC)c1OC
InChIInChI=1S/C13H18ClNO4/c1-16-9-6-8(14)11(10-7-15-4-5-19-10)13(18-3)12(9)17-2/h6,10,15H,4-5,7H2,1-3H3
InChIKeyKSKZWUMMZNDCGR-UHFFFAOYSA-N
MW287.74 g/mol
LogP2.03
Rot. Bonds4

About 2-(6-chloro-2,3,4-trimethoxyphenyl)morpholine

2-(6-chloro-2,3,4-trimethoxyphenyl)morpholine (PubChem CID 117464374) has the molecular formula C13H18ClNO4 and a molecular weight of 287.74 g/mol. Its IUPAC name is 2-(6-chloro-2,3,4-trimethoxyphenyl)morpholine.

Molecular Properties

Compound Name2-(6-chloro-2,3,4-trimethoxyphenyl)morpholine
PubChem CID117464374
Molecular FormulaC13H18ClNO4
Molecular Weight287.74 g/mol
Exact Mass287.09
IUPAC Name2-(6-chloro-2,3,4-trimethoxyphenyl)morpholine
SMILESCOc1cc(Cl)c(C2CNCCO2)c(OC)c1OC
InChIInChI=1S/C13H18ClNO4/c1-16-9-6-8(14)11(10-7-15-4-5-19-10)13(18-3)12(9)17-2/h6,10,15H,4-5,7H2,1-3H3
InChIKeyKSKZWUMMZNDCGR-UHFFFAOYSA-N
XLogP2.03
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.74
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-4,5-dimethoxy-2-morpholin-2-ylphenol
CID 117437042
2-(4-chloro-2,3-dimethoxy-6-methylphenyl)morpholine
CID 117432137
2-(2-chloro-4,5-dimethoxyphenyl)morpholine
CID 117397861
2-(2,4-dimethoxy-3,6-dimethylphenyl)morpholine
CID 117381769
3-chloro-6-methoxy-4-methyl-2-morpholin-2-ylphenol
CID 117397860
2-(3-chloro-4,5-dimethoxy-2-propan-2-ylphenyl)morpholine
CID 117482760
2-(5-chloro-3,4-dimethoxy-2-methylphenyl)morpholine
CID 117432130
2-(5-chloro-4-methoxy-2-methylphenyl)morpholine
CID 82293184
2-(5-fluoro-2,3-dimethoxyphenyl)morpholine
CID 117354893
2-(2-fluoro-3,6-dimethoxyphenyl)morpholine
CID 84800876
2-(3-chloro-2-methoxy-4,5-dimethylphenyl)morpholine
CID 115004570
2-(3-bromo-2-methoxy-4,6-dimethylphenyl)morpholine
CID 117483768

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2,3,4-trimethoxyphenyl)morpholine?
The IUPAC name of 2-(6-chloro-2,3,4-trimethoxyphenyl)morpholine (CID 117464374) is 2-(6-chloro-2,3,4-trimethoxyphenyl)morpholine.
What is the SMILES notation for 2-(6-chloro-2,3,4-trimethoxyphenyl)morpholine?
The canonical SMILES for 2-(6-chloro-2,3,4-trimethoxyphenyl)morpholine is COc1cc(Cl)c(C2CNCCO2)c(OC)c1OC.
What is the InChIKey of 2-(6-chloro-2,3,4-trimethoxyphenyl)morpholine?
The InChIKey is KSKZWUMMZNDCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO4/c1-16-9-6-8(14)11(10-7-15-4-5-19-10)13(18-3)12(9)17-2/h6,10,15H,4-5,7H2,1-3H3.
What are the key properties of 2-(6-chloro-2,3,4-trimethoxyphenyl)morpholine?
2-(6-chloro-2,3,4-trimethoxyphenyl)morpholine has a molecular weight of 287.74 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2,3,4-trimethoxyphenyl)morpholine is sourced from PubChem (CID 117464374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).