ethane;methyl 2-chloro-6-morpholin-4-ylbenzoate

C14H20ClNO3 — CID 144574746

IUPACethane;methyl 2-chloro-6-morpholin-4-ylbenzoate
SMILESCC.COC(=O)c1c(Cl)cccc1N1CCOCC1
InChIInChI=1S/C12H14ClNO3.C2H6/c1-16-12(15)11-9(13)3-2-4-10(11)14-5-7-17-8-6-14;1-2/h2-4H,5-8H2,1H3;1-2H3
InChIKeyLGZXRTUBWHMSLJ-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.99
Rot. Bonds2

About ethane;methyl 2-chloro-6-morpholin-4-ylbenzoate

ethane;methyl 2-chloro-6-morpholin-4-ylbenzoate (PubChem CID 144574746) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is ethane;methyl 2-chloro-6-morpholin-4-ylbenzoate.

Molecular Properties

Compound Nameethane;methyl 2-chloro-6-morpholin-4-ylbenzoate
PubChem CID144574746
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Nameethane;methyl 2-chloro-6-morpholin-4-ylbenzoate
SMILESCC.COC(=O)c1c(Cl)cccc1N1CCOCC1
InChIInChI=1S/C12H14ClNO3.C2H6/c1-16-12(15)11-9(13)3-2-4-10(11)14-5-7-17-8-6-14;1-2/h2-4H,5-8H2,1H3;1-2H3
InChIKeyLGZXRTUBWHMSLJ-UHFFFAOYSA-N
XLogP2.99
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-chloro-3-morpholin-4-ylbenzoate
CID 166766817
methyl 5-[(2,6-dichlorobenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 2809863
methyl 2-methoxy-3-morpholin-4-ylbenzoate
CID 162506076
methyl 4-chloro-3-morpholin-4-ylbenzoate
CID 7148400
2,6-dichlorobenzoic acid;methyl 2,6-dichlorobenzoate;molecular hydrogen
CID 159853083
2-iodo-6-morpholin-4-ylbenzoic acid
CID 171316340
4-(2-chloro-3-methoxyphenyl)morpholine
CID 102440572
2-chloro-3-morpholin-4-ylbenzoic acid
CID 155573324
methyl 3-chloro-6-morpholin-4-ylpyridine-2-carboxylate
CID 134159276
methyl 3-methyl-4-morpholin-4-ylbenzoate
CID 67528858
4-[3-chloro-2-(chloromethyl)phenyl]morpholine
CID 28946203
methyl (2S)-2-(2-chlorophenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetate
CID 51932562

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 2-chloro-6-morpholin-4-ylbenzoate?
The IUPAC name of ethane;methyl 2-chloro-6-morpholin-4-ylbenzoate (CID 144574746) is ethane;methyl 2-chloro-6-morpholin-4-ylbenzoate.
What is the SMILES notation for ethane;methyl 2-chloro-6-morpholin-4-ylbenzoate?
The canonical SMILES for ethane;methyl 2-chloro-6-morpholin-4-ylbenzoate is CC.COC(=O)c1c(Cl)cccc1N1CCOCC1.
What is the InChIKey of ethane;methyl 2-chloro-6-morpholin-4-ylbenzoate?
The InChIKey is LGZXRTUBWHMSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3.C2H6/c1-16-12(15)11-9(13)3-2-4-10(11)14-5-7-17-8-6-14;1-2/h2-4H,5-8H2,1H3;1-2H3.
What are the key properties of ethane;methyl 2-chloro-6-morpholin-4-ylbenzoate?
ethane;methyl 2-chloro-6-morpholin-4-ylbenzoate has a molecular weight of 285.77 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 2-chloro-6-morpholin-4-ylbenzoate is sourced from PubChem (CID 144574746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).