2-[2-[2-chloro-4-(4-chlorophenyl)phenyl]morpholin-4-yl]ethyl 2-[4-(2-methylpropyl)phenyl]propanoate

C31H35Cl2NO3 — CID 141232189

IUPAC2-[2-[2-chloro-4-(4-chlorophenyl)phenyl]morpholin-4-yl]ethyl 2-[4-(2-methylpropyl)phenyl]propanoate
SMILESCC(C)Cc1ccc(C(C)C(=O)OCCN2CCOC(c3ccc(-c4ccc(Cl)cc4)cc3Cl)C2)cc1
InChIInChI=1S/C31H35Cl2NO3/c1-21(2)18-23-4-6-24(7-5-23)22(3)31(35)37-17-15-34-14-16-36-30(20-34)28-13-10-26(19-29(28)33)25-8-11-27(32)12-9-25/h4-13,19,21-22,30H,14-18,20H2,1-3H3
InChIKeyLZRGOKRJKZOUTR-UHFFFAOYSA-N
MW540.53 g/mol
LogP7.58
Rot. Bonds9

About 2-[2-[2-chloro-4-(4-chlorophenyl)phenyl]morpholin-4-yl]ethyl 2-[4-(2-methylpropyl)phenyl]propanoate

2-[2-[2-chloro-4-(4-chlorophenyl)phenyl]morpholin-4-yl]ethyl 2-[4-(2-methylpropyl)phenyl]propanoate (PubChem CID 141232189) has the molecular formula C31H35Cl2NO3 and a molecular weight of 540.53 g/mol. Its IUPAC name is 2-[2-[2-chloro-4-(4-chlorophenyl)phenyl]morpholin-4-yl]ethyl 2-[4-(2-methylpropyl)phenyl]propanoate.

Molecular Properties

Compound Name2-[2-[2-chloro-4-(4-chlorophenyl)phenyl]morpholin-4-yl]ethyl 2-[4-(2-methylpropyl)phenyl]propanoate
PubChem CID141232189
Molecular FormulaC31H35Cl2NO3
Molecular Weight540.53 g/mol
Exact Mass539.20
IUPAC Name2-[2-[2-chloro-4-(4-chlorophenyl)phenyl]morpholin-4-yl]ethyl 2-[4-(2-methylpropyl)phenyl]propanoate
SMILESCC(C)Cc1ccc(C(C)C(=O)OCCN2CCOC(c3ccc(-c4ccc(Cl)cc4)cc3Cl)C2)cc1
InChIInChI=1S/C31H35Cl2NO3/c1-21(2)18-23-4-6-24(7-5-23)22(3)31(35)37-17-15-34-14-16-36-30(20-34)28-13-10-26(19-29(28)33)25-8-11-27(32)12-9-25/h4-13,19,21-22,30H,14-18,20H2,1-3H3
InChIKeyLZRGOKRJKZOUTR-UHFFFAOYSA-N
XLogP7.58
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.53
LogP ≤ 57.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-[2-chloro-4-(4-chlorophenyl)phenyl]morpholin-4-yl]ethyl 2-[4-(2-methylpropyl)phenyl]propanoate with MolForge

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Related Compounds

2-[2-(3-chlorophenyl)-3-methylmorpholin-4-yl]ethyl 2-[4-(2-methylpropyl)phenyl]propanoate;hydrochloride
CID 141298282
but-3-enyl (2R)-2-[4-(2-methylpropyl)phenyl]propanoate
CID 175830731
2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]ethyl morpholine-4-carboxylate
CID 92969335
2-sulfanylethyl 2-[4-(2-methylpropyl)phenyl]propanoate
CID 10445655
3-bromopropyl 2-[4-(2-methylpropyl)phenyl]propanoate
CID 11727156
trimethyl-[2-[2-[4-(2-methylpropyl)phenyl]propanoyloxy]ethyl]azanium
CID 15219069
2-[2-[2-(2-chlorophenyl)morpholin-4-yl]ethoxy]ethanol
CID 111432795
(2R)-2-(2-chloro-4-fluorophenyl)-4-(2-ethylsulfonylethyl)morpholine
CID 124619802
2-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]ethyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate;hydrochloride
CID 46928284
octyl (2S)-2-[4-(2-methylpropyl)phenyl]propanoate
CID 15274994
(2R)-2-[4-(2-methylpropyl)phenyl]-N-(2-morpholin-4-ylethyl)propanamide
CID 121452302
2-(diethylamino)ethyl (2R)-2-[4-(2-methylpropyl)phenyl]propanoate
CID 135390819

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-chloro-4-(4-chlorophenyl)phenyl]morpholin-4-yl]ethyl 2-[4-(2-methylpropyl)phenyl]propanoate?
The IUPAC name of 2-[2-[2-chloro-4-(4-chlorophenyl)phenyl]morpholin-4-yl]ethyl 2-[4-(2-methylpropyl)phenyl]propanoate (CID 141232189) is 2-[2-[2-chloro-4-(4-chlorophenyl)phenyl]morpholin-4-yl]ethyl 2-[4-(2-methylpropyl)phenyl]propanoate.
What is the SMILES notation for 2-[2-[2-chloro-4-(4-chlorophenyl)phenyl]morpholin-4-yl]ethyl 2-[4-(2-methylpropyl)phenyl]propanoate?
The canonical SMILES for 2-[2-[2-chloro-4-(4-chlorophenyl)phenyl]morpholin-4-yl]ethyl 2-[4-(2-methylpropyl)phenyl]propanoate is CC(C)Cc1ccc(C(C)C(=O)OCCN2CCOC(c3ccc(-c4ccc(Cl)cc4)cc3Cl)C2)cc1.
What is the InChIKey of 2-[2-[2-chloro-4-(4-chlorophenyl)phenyl]morpholin-4-yl]ethyl 2-[4-(2-methylpropyl)phenyl]propanoate?
The InChIKey is LZRGOKRJKZOUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35Cl2NO3/c1-21(2)18-23-4-6-24(7-5-23)22(3)31(35)37-17-15-34-14-16-36-30(20-34)28-13-10-26(19-29(28)33)25-8-11-27(32)12-9-25/h4-13,19,21-22,30H,14-18,20H2,1-3H3.
What are the key properties of 2-[2-[2-chloro-4-(4-chlorophenyl)phenyl]morpholin-4-yl]ethyl 2-[4-(2-methylpropyl)phenyl]propanoate?
2-[2-[2-chloro-4-(4-chlorophenyl)phenyl]morpholin-4-yl]ethyl 2-[4-(2-methylpropyl)phenyl]propanoate has a molecular weight of 540.53 g/mol, XLogP of 7.58, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-chloro-4-(4-chlorophenyl)phenyl]morpholin-4-yl]ethyl 2-[4-(2-methylpropyl)phenyl]propanoate is sourced from PubChem (CID 141232189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).