methyl 2-chloro-3-morpholin-4-ylbenzoate

C12H14ClNO3 — CID 166766817

IUPACmethyl 2-chloro-3-morpholin-4-ylbenzoate
SMILESCOC(=O)c1cccc(N2CCOCC2)c1Cl
InChIInChI=1S/C12H14ClNO3/c1-16-12(15)9-3-2-4-10(11(9)13)14-5-7-17-8-6-14/h2-4H,5-8H2,1H3
InChIKeyGXOJXWHQILEAIF-UHFFFAOYSA-N
MW255.70 g/mol
LogP1.96
Rot. Bonds2

About methyl 2-chloro-3-morpholin-4-ylbenzoate

methyl 2-chloro-3-morpholin-4-ylbenzoate (PubChem CID 166766817) has the molecular formula C12H14ClNO3 and a molecular weight of 255.70 g/mol. Its IUPAC name is methyl 2-chloro-3-morpholin-4-ylbenzoate.

Molecular Properties

Compound Namemethyl 2-chloro-3-morpholin-4-ylbenzoate
PubChem CID166766817
Molecular FormulaC12H14ClNO3
Molecular Weight255.70 g/mol
Exact Mass255.07
IUPAC Namemethyl 2-chloro-3-morpholin-4-ylbenzoate
SMILESCOC(=O)c1cccc(N2CCOCC2)c1Cl
InChIInChI=1S/C12H14ClNO3/c1-16-12(15)9-3-2-4-10(11(9)13)14-5-7-17-8-6-14/h2-4H,5-8H2,1H3
InChIKeyGXOJXWHQILEAIF-UHFFFAOYSA-N
XLogP1.96
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-3-morpholin-4-ylbenzoic acid
CID 155573324
methyl 2-methoxy-3-morpholin-4-ylbenzoate
CID 162506076
ethane;methyl 2-chloro-6-morpholin-4-ylbenzoate
CID 144574746
methyl 3-amino-2-morpholin-4-ylbenzoate
CID 112577589
4-(2-chloro-3-methoxyphenyl)morpholine
CID 102440572
methyl 2-[2-(4-fluorophenyl)ethenyl]-3-morpholin-4-ylbenzoate
CID 175443779
methyl 2-[2-[(2-morpholin-4-ylphenyl)methylamino]-2-oxoethyl]benzoate
CID 75440397
methyl 5-[(2,6-dichlorobenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 2809863
methyl 4-chloro-3-morpholin-4-ylbenzoate
CID 7148400
methyl 2-morpholin-4-yl-5-sulfanylbenzoate
CID 71105835
methyl 2-(azetidin-1-yl)benzoate
CID 131095388
methyl 5-isocyano-2-morpholin-4-ylbenzoate
CID 140820727

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-3-morpholin-4-ylbenzoate?
The IUPAC name of methyl 2-chloro-3-morpholin-4-ylbenzoate (CID 166766817) is methyl 2-chloro-3-morpholin-4-ylbenzoate.
What is the SMILES notation for methyl 2-chloro-3-morpholin-4-ylbenzoate?
The canonical SMILES for methyl 2-chloro-3-morpholin-4-ylbenzoate is COC(=O)c1cccc(N2CCOCC2)c1Cl.
What is the InChIKey of methyl 2-chloro-3-morpholin-4-ylbenzoate?
The InChIKey is GXOJXWHQILEAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3/c1-16-12(15)9-3-2-4-10(11(9)13)14-5-7-17-8-6-14/h2-4H,5-8H2,1H3.
What are the key properties of methyl 2-chloro-3-morpholin-4-ylbenzoate?
methyl 2-chloro-3-morpholin-4-ylbenzoate has a molecular weight of 255.70 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-3-morpholin-4-ylbenzoate is sourced from PubChem (CID 166766817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).