(6-bromo-3-ethoxy-2-methylphenyl)-morpholin-4-ylmethanone

C14H18BrNO3 — CID 171369332

IUPAC(6-bromo-3-ethoxy-2-methylphenyl)-morpholin-4-ylmethanone
SMILESCCOc1ccc(Br)c(C(=O)N2CCOCC2)c1C
InChIInChI=1S/C14H18BrNO3/c1-3-19-12-5-4-11(15)13(10(12)2)14(17)16-6-8-18-9-7-16/h4-5H,3,6-9H2,1-2H3
InChIKeySJVZLYVVFXFOFT-UHFFFAOYSA-N
MW328.21 g/mol
LogP2.63
Rot. Bonds3

About (6-bromo-3-ethoxy-2-methylphenyl)-morpholin-4-ylmethanone

(6-bromo-3-ethoxy-2-methylphenyl)-morpholin-4-ylmethanone (PubChem CID 171369332) has the molecular formula C14H18BrNO3 and a molecular weight of 328.21 g/mol. Its IUPAC name is (6-bromo-3-ethoxy-2-methylphenyl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(6-bromo-3-ethoxy-2-methylphenyl)-morpholin-4-ylmethanone
PubChem CID171369332
Molecular FormulaC14H18BrNO3
Molecular Weight328.21 g/mol
Exact Mass327.05
IUPAC Name(6-bromo-3-ethoxy-2-methylphenyl)-morpholin-4-ylmethanone
SMILESCCOc1ccc(Br)c(C(=O)N2CCOCC2)c1C
InChIInChI=1S/C14H18BrNO3/c1-3-19-12-5-4-11(15)13(10(12)2)14(17)16-6-8-18-9-7-16/h4-5H,3,6-9H2,1-2H3
InChIKeySJVZLYVVFXFOFT-UHFFFAOYSA-N
XLogP2.63
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-amino-4-ethoxyphenyl)-morpholin-4-ylmethanone
CID 28689916
(2-amino-6-ethoxyphenyl)-(1,4-oxazepan-4-yl)methanone
CID 81420115
N-(4-ethoxy-3-methylphenyl)morpholine-4-carboxamide
CID 47410728
(4-butoxy-3-ethoxyphenyl)-morpholin-4-ylmethanone
CID 112762921
(4-bromo-3-methylphenyl)-morpholin-4-ylmethanone
CID 18960596
[2-bromo-6-ethoxy-4-(morpholine-4-carbothioyl)phenyl] 2,4-dichlorobenzoate
CID 1368569
(2-methoxy-6-methylphenyl)-morpholin-4-ylmethanone
CID 131909764
3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 5169130
N-(2-ethoxyphenyl)-2-[4-(morpholine-4-carbonyl)anilino]acetamide
CID 54831932
2-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]-1-morpholin-4-ylethanone
CID 97179321
1-(5-chloro-2-ethoxyphenyl)-2-morpholin-4-ylethanone
CID 82051126
(2-fluoro-6-methoxyphenyl)-morpholin-4-ylmethanone
CID 65432492

Frequently Asked Questions

What is the IUPAC name of (6-bromo-3-ethoxy-2-methylphenyl)-morpholin-4-ylmethanone?
The IUPAC name of (6-bromo-3-ethoxy-2-methylphenyl)-morpholin-4-ylmethanone (CID 171369332) is (6-bromo-3-ethoxy-2-methylphenyl)-morpholin-4-ylmethanone.
What is the SMILES notation for (6-bromo-3-ethoxy-2-methylphenyl)-morpholin-4-ylmethanone?
The canonical SMILES for (6-bromo-3-ethoxy-2-methylphenyl)-morpholin-4-ylmethanone is CCOc1ccc(Br)c(C(=O)N2CCOCC2)c1C.
What is the InChIKey of (6-bromo-3-ethoxy-2-methylphenyl)-morpholin-4-ylmethanone?
The InChIKey is SJVZLYVVFXFOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO3/c1-3-19-12-5-4-11(15)13(10(12)2)14(17)16-6-8-18-9-7-16/h4-5H,3,6-9H2,1-2H3.
What are the key properties of (6-bromo-3-ethoxy-2-methylphenyl)-morpholin-4-ylmethanone?
(6-bromo-3-ethoxy-2-methylphenyl)-morpholin-4-ylmethanone has a molecular weight of 328.21 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-3-ethoxy-2-methylphenyl)-morpholin-4-ylmethanone is sourced from PubChem (CID 171369332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).