2-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]-1-morpholin-4-ylethanone

C15H20BrNO5 — CID 97179321

IUPAC2-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]-1-morpholin-4-ylethanone
SMILESCCOc1cc(CO)cc(Br)c1OCC(=O)N1CCOCC1
InChIInChI=1S/C15H20BrNO5/c1-2-21-13-8-11(9-18)7-12(16)15(13)22-10-14(19)17-3-5-20-6-4-17/h7-8,18H,2-6,9-10H2,1H3
InChIKeyGBKCOROVDQFWAU-UHFFFAOYSA-N
MW374.23 g/mol
LogP1.58
Rot. Bonds6

About 2-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]-1-morpholin-4-ylethanone

2-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]-1-morpholin-4-ylethanone (PubChem CID 97179321) has the molecular formula C15H20BrNO5 and a molecular weight of 374.23 g/mol. Its IUPAC name is 2-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]-1-morpholin-4-ylethanone
PubChem CID97179321
Molecular FormulaC15H20BrNO5
Molecular Weight374.23 g/mol
Exact Mass373.05
IUPAC Name2-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]-1-morpholin-4-ylethanone
SMILESCCOc1cc(CO)cc(Br)c1OCC(=O)N1CCOCC1
InChIInChI=1S/C15H20BrNO5/c1-2-21-13-8-11(9-18)7-12(16)15(13)22-10-14(19)17-3-5-20-6-4-17/h7-8,18H,2-6,9-10H2,1H3
InChIKeyGBKCOROVDQFWAU-UHFFFAOYSA-N
XLogP1.58
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.23
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-chloro-6-ethoxy-4-(hydroxymethyl)phenoxy]-1-morpholin-4-ylethanone
CID 97179268
3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 5169130
2-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]-N-(2-methylpropyl)acetamide
CID 43627207
(5Z)-5-[[3-bromo-5-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126250596
2-[2-bromo-4-(methylaminomethyl)phenoxy]-1-morpholin-4-ylethanone
CID 63045841
3-[3-bromo-5-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-enoic acid
CID 171146647
propan-2-yl 2-[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetate
CID 171349786
N'-[(Z)-[3-bromo-5-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-N-(4-propoxyphenyl)oxamide
CID 126169448
N'-[(Z)-[3-bromo-5-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-N-(2-fluorophenyl)oxamide
CID 126163140
(3-bromo-4-butoxy-5-ethoxyphenyl)methanol
CID 43627133
2-(2-bromo-4-tert-butylphenoxy)-1-morpholin-4-ylethanone
CID 2202684
3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde
CID 4288065

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]-1-morpholin-4-ylethanone (CID 97179321) is 2-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]-1-morpholin-4-ylethanone is CCOc1cc(CO)cc(Br)c1OCC(=O)N1CCOCC1.
What is the InChIKey of 2-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]-1-morpholin-4-ylethanone?
The InChIKey is GBKCOROVDQFWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO5/c1-2-21-13-8-11(9-18)7-12(16)15(13)22-10-14(19)17-3-5-20-6-4-17/h7-8,18H,2-6,9-10H2,1H3.
What are the key properties of 2-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]-1-morpholin-4-ylethanone?
2-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]-1-morpholin-4-ylethanone has a molecular weight of 374.23 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]-1-morpholin-4-ylethanone is sourced from PubChem (CID 97179321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).