3-chloro-4,5-dimethoxy-2-morpholin-2-ylphenol

C12H16ClNO4 — CID 117437042

IUPAC3-chloro-4,5-dimethoxy-2-morpholin-2-ylphenol
SMILESCOc1cc(O)c(C2CNCCO2)c(Cl)c1OC
InChIInChI=1S/C12H16ClNO4/c1-16-8-5-7(15)10(11(13)12(8)17-2)9-6-14-3-4-18-9/h5,9,14-15H,3-4,6H2,1-2H3
InChIKeyJZJLHEDYFIVELY-UHFFFAOYSA-N
MW273.72 g/mol
LogP1.72
Rot. Bonds3

About 3-chloro-4,5-dimethoxy-2-morpholin-2-ylphenol

3-chloro-4,5-dimethoxy-2-morpholin-2-ylphenol (PubChem CID 117437042) has the molecular formula C12H16ClNO4 and a molecular weight of 273.72 g/mol. Its IUPAC name is 3-chloro-4,5-dimethoxy-2-morpholin-2-ylphenol.

Molecular Properties

Compound Name3-chloro-4,5-dimethoxy-2-morpholin-2-ylphenol
PubChem CID117437042
Molecular FormulaC12H16ClNO4
Molecular Weight273.72 g/mol
Exact Mass273.08
IUPAC Name3-chloro-4,5-dimethoxy-2-morpholin-2-ylphenol
SMILESCOc1cc(O)c(C2CNCCO2)c(Cl)c1OC
InChIInChI=1S/C12H16ClNO4/c1-16-8-5-7(15)10(11(13)12(8)17-2)9-6-14-3-4-18-9/h5,9,14-15H,3-4,6H2,1-2H3
InChIKeyJZJLHEDYFIVELY-UHFFFAOYSA-N
XLogP1.72
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-chloro-2,3,4-trimethoxyphenyl)morpholine
CID 117464374
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-(2,4-dimethoxy-3,6-dimethylphenyl)morpholine
CID 117381769
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-6-fluoro-2-methoxy-3-morpholin-2-ylphenol
CID 117491098
6-methoxy-3-methyl-2-morpholin-2-ylphenol
CID 117319599
2-(2-chloro-4,5-dimethoxyphenyl)morpholine
CID 117397861
2-(5-fluoro-2,3-dimethoxyphenyl)morpholine
CID 117354893
3-methoxy-2-methyl-5-morpholin-2-ylphenol
CID 84789009
3-fluoro-6-methoxy-2-morpholin-2-ylphenol
CID 117326498

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4,5-dimethoxy-2-morpholin-2-ylphenol?
The IUPAC name of 3-chloro-4,5-dimethoxy-2-morpholin-2-ylphenol (CID 117437042) is 3-chloro-4,5-dimethoxy-2-morpholin-2-ylphenol.
What is the SMILES notation for 3-chloro-4,5-dimethoxy-2-morpholin-2-ylphenol?
The canonical SMILES for 3-chloro-4,5-dimethoxy-2-morpholin-2-ylphenol is COc1cc(O)c(C2CNCCO2)c(Cl)c1OC.
What is the InChIKey of 3-chloro-4,5-dimethoxy-2-morpholin-2-ylphenol?
The InChIKey is JZJLHEDYFIVELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO4/c1-16-8-5-7(15)10(11(13)12(8)17-2)9-6-14-3-4-18-9/h5,9,14-15H,3-4,6H2,1-2H3.
What are the key properties of 3-chloro-4,5-dimethoxy-2-morpholin-2-ylphenol?
3-chloro-4,5-dimethoxy-2-morpholin-2-ylphenol has a molecular weight of 273.72 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4,5-dimethoxy-2-morpholin-2-ylphenol is sourced from PubChem (CID 117437042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).