[2-[(2,4-dichlorophenyl)methoxy]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone

C20H21Cl2NO3 — CID 25163288

IUPAC[2-[(2,4-dichlorophenyl)methoxy]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2ccccc2OCc2ccc(Cl)cc2Cl)CC(C)O1
InChIInChI=1S/C20H21Cl2NO3/c1-13-10-23(11-14(2)26-13)20(24)17-5-3-4-6-19(17)25-12-15-7-8-16(21)9-18(15)22/h3-9,13-14H,10-12H2,1-2H3
InChIKeyMXRNWFYDHNIZQG-UHFFFAOYSA-N
MW394.30 g/mol
LogP4.82
Rot. Bonds4

About [2-[(2,4-dichlorophenyl)methoxy]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone

[2-[(2,4-dichlorophenyl)methoxy]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone (PubChem CID 25163288) has the molecular formula C20H21Cl2NO3 and a molecular weight of 394.30 g/mol. Its IUPAC name is [2-[(2,4-dichlorophenyl)methoxy]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[2-[(2,4-dichlorophenyl)methoxy]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
PubChem CID25163288
Molecular FormulaC20H21Cl2NO3
Molecular Weight394.30 g/mol
Exact Mass393.09
IUPAC Name[2-[(2,4-dichlorophenyl)methoxy]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2ccccc2OCc2ccc(Cl)cc2Cl)CC(C)O1
InChIInChI=1S/C20H21Cl2NO3/c1-13-10-23(11-14(2)26-13)20(24)17-5-3-4-6-19(17)25-12-15-7-8-16(21)9-18(15)22/h3-9,13-14H,10-12H2,1-2H3
InChIKeyMXRNWFYDHNIZQG-UHFFFAOYSA-N
XLogP4.82
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.30
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(2,4-dichlorophenyl)methoxy]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone?
The IUPAC name of [2-[(2,4-dichlorophenyl)methoxy]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone (CID 25163288) is [2-[(2,4-dichlorophenyl)methoxy]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for [2-[(2,4-dichlorophenyl)methoxy]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for [2-[(2,4-dichlorophenyl)methoxy]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone is CC1CN(C(=O)c2ccccc2OCc2ccc(Cl)cc2Cl)CC(C)O1.
What is the InChIKey of [2-[(2,4-dichlorophenyl)methoxy]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone?
The InChIKey is MXRNWFYDHNIZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2NO3/c1-13-10-23(11-14(2)26-13)20(24)17-5-3-4-6-19(17)25-12-15-7-8-16(21)9-18(15)22/h3-9,13-14H,10-12H2,1-2H3.
What are the key properties of [2-[(2,4-dichlorophenyl)methoxy]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone?
[2-[(2,4-dichlorophenyl)methoxy]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone has a molecular weight of 394.30 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,4-dichlorophenyl)methoxy]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 25163288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).