methyl 4-[(5-chloro-2-methoxyphenyl)methyl]morpholine-3-carboxylate

C14H18ClNO4 — CID 115670695

IUPACmethyl 4-[(5-chloro-2-methoxyphenyl)methyl]morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1Cc1cc(Cl)ccc1OC
InChIInChI=1S/C14H18ClNO4/c1-18-13-4-3-11(15)7-10(13)8-16-5-6-20-9-12(16)14(17)19-2/h3-4,7,12H,5-6,8-9H2,1-2H3
InChIKeyMYRTXFZPOOQLRC-UHFFFAOYSA-N
MW299.75 g/mol
LogP1.72
Rot. Bonds4

About methyl 4-[(5-chloro-2-methoxyphenyl)methyl]morpholine-3-carboxylate

methyl 4-[(5-chloro-2-methoxyphenyl)methyl]morpholine-3-carboxylate (PubChem CID 115670695) has the molecular formula C14H18ClNO4 and a molecular weight of 299.75 g/mol. Its IUPAC name is methyl 4-[(5-chloro-2-methoxyphenyl)methyl]morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(5-chloro-2-methoxyphenyl)methyl]morpholine-3-carboxylate
PubChem CID115670695
Molecular FormulaC14H18ClNO4
Molecular Weight299.75 g/mol
Exact Mass299.09
IUPAC Namemethyl 4-[(5-chloro-2-methoxyphenyl)methyl]morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1Cc1cc(Cl)ccc1OC
InChIInChI=1S/C14H18ClNO4/c1-18-13-4-3-11(15)7-10(13)8-16-5-6-20-9-12(16)14(17)19-2/h3-4,7,12H,5-6,8-9H2,1-2H3
InChIKeyMYRTXFZPOOQLRC-UHFFFAOYSA-N
XLogP1.72
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.75
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[(5-fluoro-2-methylphenyl)methyl]morpholine-3-carboxylate
CID 115970488
methyl 4-[(2,4-difluorophenyl)methyl]morpholine-3-carboxylate
CID 113253204
methyl 4-[(2-fluorophenyl)methyl]morpholine-3-carboxylate
CID 113247715
(3R)-4-[2-(5-chloro-2-methoxyphenyl)acetyl]morpholine-3-carboxylic acid
CID 124513245
methyl 4-[(3-chloro-2-fluorophenyl)methyl]morpholine-3-carboxylate
CID 103886869
2-[2-[(3-methoxycarbonylmorpholin-4-yl)methyl]phenyl]acetic acid
CID 104775095
methyl 4-[(5-cyano-2-fluorophenyl)methyl]morpholine-3-carboxylate
CID 115670726
4-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N-methylmorpholine-3-carboxamide
CID 83098389
methyl 4-[[4-(aminomethyl)-2-methylphenyl]methyl]morpholine-3-carboxylate
CID 114478936
1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 175978099
4-[(4-chloro-2-methylphenyl)methyl]morpholine-3-carboxylic acid
CID 114076020
methyl 4-[(2-methoxycarbonylfuran-3-yl)methyl]morpholine-3-carboxylate
CID 115670655

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(5-chloro-2-methoxyphenyl)methyl]morpholine-3-carboxylate?
The IUPAC name of methyl 4-[(5-chloro-2-methoxyphenyl)methyl]morpholine-3-carboxylate (CID 115670695) is methyl 4-[(5-chloro-2-methoxyphenyl)methyl]morpholine-3-carboxylate.
What is the SMILES notation for methyl 4-[(5-chloro-2-methoxyphenyl)methyl]morpholine-3-carboxylate?
The canonical SMILES for methyl 4-[(5-chloro-2-methoxyphenyl)methyl]morpholine-3-carboxylate is COC(=O)C1COCCN1Cc1cc(Cl)ccc1OC.
What is the InChIKey of methyl 4-[(5-chloro-2-methoxyphenyl)methyl]morpholine-3-carboxylate?
The InChIKey is MYRTXFZPOOQLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO4/c1-18-13-4-3-11(15)7-10(13)8-16-5-6-20-9-12(16)14(17)19-2/h3-4,7,12H,5-6,8-9H2,1-2H3.
What are the key properties of methyl 4-[(5-chloro-2-methoxyphenyl)methyl]morpholine-3-carboxylate?
methyl 4-[(5-chloro-2-methoxyphenyl)methyl]morpholine-3-carboxylate has a molecular weight of 299.75 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(5-chloro-2-methoxyphenyl)methyl]morpholine-3-carboxylate is sourced from PubChem (CID 115670695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).