(4-bromophenyl)methyl 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate

C21H22BrNO6 — CID 25440659

IUPAC(4-bromophenyl)methyl 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
SMILESCOc1cc(C(=O)OCc2ccc(Br)cc2)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C21H22BrNO6/c1-26-19-12-16(21(25)29-13-15-2-5-17(22)6-3-15)4-7-18(19)28-14-20(24)23-8-10-27-11-9-23/h2-7,12H,8-11,13-14H2,1H3
InChIKeyFWFPHRWPUJOWKB-UHFFFAOYSA-N
MW464.31 g/mol
LogP3.05
Rot. Bonds7

About (4-bromophenyl)methyl 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate

(4-bromophenyl)methyl 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate (PubChem CID 25440659) has the molecular formula C21H22BrNO6 and a molecular weight of 464.31 g/mol. Its IUPAC name is (4-bromophenyl)methyl 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate.

Molecular Properties

Compound Name(4-bromophenyl)methyl 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
PubChem CID25440659
Molecular FormulaC21H22BrNO6
Molecular Weight464.31 g/mol
Exact Mass463.06
IUPAC Name(4-bromophenyl)methyl 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
SMILESCOc1cc(C(=O)OCc2ccc(Br)cc2)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C21H22BrNO6/c1-26-19-12-16(21(25)29-13-15-2-5-17(22)6-3-15)4-7-18(19)28-14-20(24)23-8-10-27-11-9-23/h2-7,12H,8-11,13-14H2,1H3
InChIKeyFWFPHRWPUJOWKB-UHFFFAOYSA-N
XLogP3.05
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.31
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-bromophenyl)methyl 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-methoxyphenyl)methyl 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
CID 16569033
2-(4-bromo-2-methoxyphenoxy)-1-morpholin-4-ylethanone
CID 169336855
(2-morpholin-4-yl-2-oxoethyl) 4-[(4-chlorophenyl)methoxy]-3-methoxybenzoate
CID 16501974
3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 2363825
2-[2-methoxy-4-(morpholine-4-carbothioyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 1284834
(2,3-dimethoxyphenyl)methyl 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
CID 24980785
[(1S)-1-cyanoethyl] 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
CID 7277925
(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
CID 16569268
2-[4-[(iodomethylamino)methyl]-2-methoxyphenoxy]-1-morpholin-4-ylethanone
CID 126537590
1-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoyl]piperidine-4-carboxamide
CID 4850069
2-(2-amino-4-bromophenoxy)-1-morpholin-4-ylethanone
CID 65429602
[2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl] 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
CID 42981055

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)methyl 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate?
The IUPAC name of (4-bromophenyl)methyl 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate (CID 25440659) is (4-bromophenyl)methyl 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate.
What is the SMILES notation for (4-bromophenyl)methyl 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate?
The canonical SMILES for (4-bromophenyl)methyl 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate is COc1cc(C(=O)OCc2ccc(Br)cc2)ccc1OCC(=O)N1CCOCC1.
What is the InChIKey of (4-bromophenyl)methyl 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate?
The InChIKey is FWFPHRWPUJOWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22BrNO6/c1-26-19-12-16(21(25)29-13-15-2-5-17(22)6-3-15)4-7-18(19)28-14-20(24)23-8-10-27-11-9-23/h2-7,12H,8-11,13-14H2,1H3.
What are the key properties of (4-bromophenyl)methyl 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate?
(4-bromophenyl)methyl 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate has a molecular weight of 464.31 g/mol, XLogP of 3.05, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)methyl 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate is sourced from PubChem (CID 25440659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).