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

C12H14ClNO3 — CID 7148400

IUPACmethyl 4-chloro-3-morpholin-4-ylbenzoate
SMILESCOC(=O)c1ccc(Cl)c(N2CCOCC2)c1
InChIInChI=1S/C12H14ClNO3/c1-16-12(15)9-2-3-10(13)11(8-9)14-4-6-17-7-5-14/h2-3,8H,4-7H2,1H3
InChIKeyOEUVKIGXJCMHLW-UHFFFAOYSA-N
MW255.70 g/mol
LogP1.96
Rot. Bonds2

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

methyl 4-chloro-3-morpholin-4-ylbenzoate (PubChem CID 7148400) has the molecular formula C12H14ClNO3 and a molecular weight of 255.70 g/mol. Its IUPAC name is methyl 4-chloro-3-morpholin-4-ylbenzoate.

Molecular Properties

Compound Namemethyl 4-chloro-3-morpholin-4-ylbenzoate
PubChem CID7148400
Molecular FormulaC12H14ClNO3
Molecular Weight255.70 g/mol
Exact Mass255.07
IUPAC Namemethyl 4-chloro-3-morpholin-4-ylbenzoate
SMILESCOC(=O)c1ccc(Cl)c(N2CCOCC2)c1
InChIInChI=1S/C12H14ClNO3/c1-16-12(15)9-2-3-10(13)11(8-9)14-4-6-17-7-5-14/h2-3,8H,4-7H2,1H3
InChIKeyOEUVKIGXJCMHLW-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

methyl 3-methyl-4-morpholin-4-ylbenzoate
CID 67528858
1-(4-chloro-3-morpholin-4-ylphenyl)-2-methylpropan-1-one
CID 82123223
4-chloro-3-morpholin-4-ylbenzohydrazide
CID 7148384
methyl 3-cyano-4-morpholin-4-ylbenzoate
CID 155293483
methyl 4-chloro-3-morpholin-4-ylsulfonylbenzoate
CID 779077
methyl 3-(4-butanoylpiperazin-1-yl)-4-chlorobenzoate
CID 113078614
methyl 4-chloro-3-[4-(dimethylsulfamoyl)piperazin-1-yl]benzoate
CID 113078664
methyl 3-[(3,4-dichlorobenzoyl)carbamothioylamino]-4-morpholin-4-ylbenzoate
CID 17336341
methyl 3-[(3,5-dichloro-4-methoxybenzoyl)amino]-4-morpholin-4-ylbenzoate
CID 17336629
ethyl 3-chloro-4-morpholin-4-ylbenzoate
CID 154210360
methyl 4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]-3-morpholin-4-ylbenzoate
CID 164529974
methyl 3-chloro-4-(morpholin-4-ylmethyl)benzoate
CID 67335502

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-morpholin-4-ylbenzoate?
The IUPAC name of methyl 4-chloro-3-morpholin-4-ylbenzoate (CID 7148400) is methyl 4-chloro-3-morpholin-4-ylbenzoate.
What is the SMILES notation for methyl 4-chloro-3-morpholin-4-ylbenzoate?
The canonical SMILES for methyl 4-chloro-3-morpholin-4-ylbenzoate is COC(=O)c1ccc(Cl)c(N2CCOCC2)c1.
What is the InChIKey of methyl 4-chloro-3-morpholin-4-ylbenzoate?
The InChIKey is OEUVKIGXJCMHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3/c1-16-12(15)9-2-3-10(13)11(8-9)14-4-6-17-7-5-14/h2-3,8H,4-7H2,1H3.
What are the key properties of methyl 4-chloro-3-morpholin-4-ylbenzoate?
methyl 4-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 4-chloro-3-morpholin-4-ylbenzoate is sourced from PubChem (CID 7148400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).