1-morpholin-4-ylpropan-2-yl 3,4-dimethoxybenzoate chloride

C16H23ClNO5- — CID 53312685

IUPAC1-morpholin-4-ylpropan-2-yl 3,4-dimethoxybenzoate chloride
SMILESCOc1ccc(C(=O)OC(C)CN2CCOCC2)cc1OC.[Cl-]
InChIInChI=1S/C16H23NO5.ClH/c1-12(11-17-6-8-21-9-7-17)22-16(18)13-4-5-14(19-2)15(10-13)20-3;/h4-5,10,12H,6-9,11H2,1-3H3;1H/p-1
InChIKeyJUTXCDLTNGYVRV-UHFFFAOYSA-M
MW344.81 g/mol
LogP-1.41
Rot. Bonds6

About 1-morpholin-4-ylpropan-2-yl 3,4-dimethoxybenzoate chloride

1-morpholin-4-ylpropan-2-yl 3,4-dimethoxybenzoate chloride (PubChem CID 53312685) has the molecular formula C16H23ClNO5- and a molecular weight of 344.81 g/mol. Its IUPAC name is 1-morpholin-4-ylpropan-2-yl 3,4-dimethoxybenzoate chloride.

Molecular Properties

Compound Name1-morpholin-4-ylpropan-2-yl 3,4-dimethoxybenzoate chloride
PubChem CID53312685
Molecular FormulaC16H23ClNO5-
Molecular Weight344.81 g/mol
Exact Mass344.13
IUPAC Name1-morpholin-4-ylpropan-2-yl 3,4-dimethoxybenzoate chloride
SMILESCOc1ccc(C(=O)OC(C)CN2CCOCC2)cc1OC.[Cl-]
InChIInChI=1S/C16H23NO5.ClH/c1-12(11-17-6-8-21-9-7-17)22-16(18)13-4-5-14(19-2)15(10-13)20-3;/h4-5,10,12H,6-9,11H2,1-3H3;1H/p-1
InChIKeyJUTXCDLTNGYVRV-UHFFFAOYSA-M
XLogP-1.41
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.81
LogP ≤ 5-1.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-1-morpholin-4-ylpropan-2-yl] 3,4,5-trimethoxybenzoate
CID 844388
1-morpholin-4-ylpropan-2-yl 4-methoxybenzoate chloride
CID 53352536
1-morpholin-4-ylpropan-2-yl 3-methoxybenzoate
CID 2913104
1-morpholin-4-ylpropan-2-yl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 654982
[(2R)-1-morpholin-4-ylpropan-2-yl] 4-fluorobenzoate
CID 844363
1-morpholin-4-ylpropan-2-yl 4-tert-butylbenzoate
CID 3151287
[(2S)-1-morpholin-4-ylpropan-2-yl] 3-chlorobenzoate
CID 807409
hydron;2-morpholin-4-ylethyl 3,4-dimethoxybenzoate;chloride
CID 660605
1-morpholin-4-ylpropan-2-yl 3-phenylbenzoate
CID 123332358
[(2S)-1-pyrrolidin-1-ylpropan-2-yl] 3,4,5-trimethoxybenzoate
CID 937091
1-morpholin-4-ylpropan-2-yl 5-bromofuran-3-carboxylate
CID 84600441
1-morpholin-4-ylpropan-2-yl 2,4-dimethylbenzoate
CID 75399143

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-ylpropan-2-yl 3,4-dimethoxybenzoate chloride?
The IUPAC name of 1-morpholin-4-ylpropan-2-yl 3,4-dimethoxybenzoate chloride (CID 53312685) is 1-morpholin-4-ylpropan-2-yl 3,4-dimethoxybenzoate chloride.
What is the SMILES notation for 1-morpholin-4-ylpropan-2-yl 3,4-dimethoxybenzoate chloride?
The canonical SMILES for 1-morpholin-4-ylpropan-2-yl 3,4-dimethoxybenzoate chloride is COc1ccc(C(=O)OC(C)CN2CCOCC2)cc1OC.[Cl-].
What is the InChIKey of 1-morpholin-4-ylpropan-2-yl 3,4-dimethoxybenzoate chloride?
The InChIKey is JUTXCDLTNGYVRV-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H23NO5.ClH/c1-12(11-17-6-8-21-9-7-17)22-16(18)13-4-5-14(19-2)15(10-13)20-3;/h4-5,10,12H,6-9,11H2,1-3H3;1H/p-1.
What are the key properties of 1-morpholin-4-ylpropan-2-yl 3,4-dimethoxybenzoate chloride?
1-morpholin-4-ylpropan-2-yl 3,4-dimethoxybenzoate chloride has a molecular weight of 344.81 g/mol, XLogP of -1.41, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-ylpropan-2-yl 3,4-dimethoxybenzoate chloride is sourced from PubChem (CID 53312685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).