(5-bromo-2-hydroxyphenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone

C14H18BrNO3 — CID 103600035

IUPAC(5-bromo-2-hydroxyphenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
SMILESCCC1COC(C)CN1C(=O)c1cc(Br)ccc1O
InChIInChI=1S/C14H18BrNO3/c1-3-11-8-19-9(2)7-16(11)14(18)12-6-10(15)4-5-13(12)17/h4-6,9,11,17H,3,7-8H2,1-2H3
InChIKeyLTCQJVIMKQLKKU-UHFFFAOYSA-N
MW328.21 g/mol
LogP2.79
Rot. Bonds2

About (5-bromo-2-hydroxyphenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone

(5-bromo-2-hydroxyphenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone (PubChem CID 103600035) has the molecular formula C14H18BrNO3 and a molecular weight of 328.21 g/mol. Its IUPAC name is (5-bromo-2-hydroxyphenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-hydroxyphenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
PubChem CID103600035
Molecular FormulaC14H18BrNO3
Molecular Weight328.21 g/mol
Exact Mass327.05
IUPAC Name(5-bromo-2-hydroxyphenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
SMILESCCC1COC(C)CN1C(=O)c1cc(Br)ccc1O
InChIInChI=1S/C14H18BrNO3/c1-3-11-8-19-9(2)7-16(11)14(18)12-6-10(15)4-5-13(12)17/h4-6,9,11,17H,3,7-8H2,1-2H3
InChIKeyLTCQJVIMKQLKKU-UHFFFAOYSA-N
XLogP2.79
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-hydroxyphenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone?
The IUPAC name of (5-bromo-2-hydroxyphenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone (CID 103600035) is (5-bromo-2-hydroxyphenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone.
What is the SMILES notation for (5-bromo-2-hydroxyphenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone?
The canonical SMILES for (5-bromo-2-hydroxyphenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone is CCC1COC(C)CN1C(=O)c1cc(Br)ccc1O.
What is the InChIKey of (5-bromo-2-hydroxyphenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone?
The InChIKey is LTCQJVIMKQLKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO3/c1-3-11-8-19-9(2)7-16(11)14(18)12-6-10(15)4-5-13(12)17/h4-6,9,11,17H,3,7-8H2,1-2H3.
What are the key properties of (5-bromo-2-hydroxyphenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone?
(5-bromo-2-hydroxyphenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone has a molecular weight of 328.21 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-hydroxyphenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 103600035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).