(2,3-dichlorophenyl) 4-(morpholin-4-ylmethyl)benzoate

C18H17Cl2NO3 — CID 9045977

IUPAC(2,3-dichlorophenyl) 4-(morpholin-4-ylmethyl)benzoate
SMILESO=C(Oc1cccc(Cl)c1Cl)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C18H17Cl2NO3/c19-15-2-1-3-16(17(15)20)24-18(22)14-6-4-13(5-7-14)12-21-8-10-23-11-9-21/h1-7H,8-12H2
InChIKeyWBOVSESHRLNHAX-UHFFFAOYSA-N
MW366.24 g/mol
LogP4.04
Rot. Bonds4

About (2,3-dichlorophenyl) 4-(morpholin-4-ylmethyl)benzoate

(2,3-dichlorophenyl) 4-(morpholin-4-ylmethyl)benzoate (PubChem CID 9045977) has the molecular formula C18H17Cl2NO3 and a molecular weight of 366.24 g/mol. Its IUPAC name is (2,3-dichlorophenyl) 4-(morpholin-4-ylmethyl)benzoate.

Molecular Properties

Compound Name(2,3-dichlorophenyl) 4-(morpholin-4-ylmethyl)benzoate
PubChem CID9045977
Molecular FormulaC18H17Cl2NO3
Molecular Weight366.24 g/mol
Exact Mass365.06
IUPAC Name(2,3-dichlorophenyl) 4-(morpholin-4-ylmethyl)benzoate
SMILESO=C(Oc1cccc(Cl)c1Cl)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C18H17Cl2NO3/c19-15-2-1-3-16(17(15)20)24-18(22)14-6-4-13(5-7-14)12-21-8-10-23-11-9-21/h1-7H,8-12H2
InChIKeyWBOVSESHRLNHAX-UHFFFAOYSA-N
XLogP4.04
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.24
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

methyl 4-(morpholin-4-ylmethyl)benzoate
CID 10466592
(4-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724233
CID 59303659
CID 59303659
ethyl 4-[4-(morpholin-4-ylmethyl)benzoyl]benzoate
CID 24724227
(2-methoxyphenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724219
5-[(2,3-dichlorophenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide
CID 19415760
(2R)-2-(2-chlorophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 39643721
4-[2-(2,3-dichlorophenoxy)ethyl]morpholine
CID 869488
[4-[2-[4-(morpholin-4-ylmethyl)phenyl]-2-oxoethanehydrazonoyl]phenyl] benzoate
CID 22300327
2-methylpropanoyloxymethyl 4-(morpholin-4-ylmethyl)benzoate
CID 18710298
(2,5-dichlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724256
ethyl 4-[(Z)-2-[4-(morpholin-4-ylmethyl)phenyl]ethenyl]benzoate
CID 89048082

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl) 4-(morpholin-4-ylmethyl)benzoate?
The IUPAC name of (2,3-dichlorophenyl) 4-(morpholin-4-ylmethyl)benzoate (CID 9045977) is (2,3-dichlorophenyl) 4-(morpholin-4-ylmethyl)benzoate.
What is the SMILES notation for (2,3-dichlorophenyl) 4-(morpholin-4-ylmethyl)benzoate?
The canonical SMILES for (2,3-dichlorophenyl) 4-(morpholin-4-ylmethyl)benzoate is O=C(Oc1cccc(Cl)c1Cl)c1ccc(CN2CCOCC2)cc1.
What is the InChIKey of (2,3-dichlorophenyl) 4-(morpholin-4-ylmethyl)benzoate?
The InChIKey is WBOVSESHRLNHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO3/c19-15-2-1-3-16(17(15)20)24-18(22)14-6-4-13(5-7-14)12-21-8-10-23-11-9-21/h1-7H,8-12H2.
What are the key properties of (2,3-dichlorophenyl) 4-(morpholin-4-ylmethyl)benzoate?
(2,3-dichlorophenyl) 4-(morpholin-4-ylmethyl)benzoate has a molecular weight of 366.24 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl) 4-(morpholin-4-ylmethyl)benzoate is sourced from PubChem (CID 9045977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).