(3-bromo-4-methoxyphenyl)-morpholin-4-ylmethanone

C12H14BrNO3 — CID 729876

IUPAC(3-bromo-4-methoxyphenyl)-morpholin-4-ylmethanone
SMILESCOc1ccc(C(=O)N2CCOCC2)cc1Br
InChIInChI=1S/C12H14BrNO3/c1-16-11-3-2-9(8-10(11)13)12(15)14-4-6-17-7-5-14/h2-3,8H,4-7H2,1H3
InChIKeyLCGVOPIZAXVBPQ-UHFFFAOYSA-N
MW300.15 g/mol
LogP1.93
Rot. Bonds2

About (3-bromo-4-methoxyphenyl)-morpholin-4-ylmethanone

(3-bromo-4-methoxyphenyl)-morpholin-4-ylmethanone (PubChem CID 729876) has the molecular formula C12H14BrNO3 and a molecular weight of 300.15 g/mol. Its IUPAC name is (3-bromo-4-methoxyphenyl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(3-bromo-4-methoxyphenyl)-morpholin-4-ylmethanone
PubChem CID729876
Molecular FormulaC12H14BrNO3
Molecular Weight300.15 g/mol
Exact Mass299.02
IUPAC Name(3-bromo-4-methoxyphenyl)-morpholin-4-ylmethanone
SMILESCOc1ccc(C(=O)N2CCOCC2)cc1Br
InChIInChI=1S/C12H14BrNO3/c1-16-11-3-2-9(8-10(11)13)12(15)14-4-6-17-7-5-14/h2-3,8H,4-7H2,1H3
InChIKeyLCGVOPIZAXVBPQ-UHFFFAOYSA-N
XLogP1.93
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.15
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-3-(4-bromophenyl)-1-(4-(4-methoxybenzoyl)piperazin-1-yl)prop-2-en-1-one
CID 36295259
Benzamide, 4-methoxy-N-(3-(4-morpholinyl)propyl)-
CID 95240
4-(4-Methoxybenzoyl)morpholine
CID 82013
3-bromo-4-methoxy-N-[(4-methyl-1-piperidinyl)carbothioyl]benzamide
CID 1014954
(2,6-Dimethylmorpholin-4-yl)-(4-phenoxyphenyl)methanone
CID 4883241
[4-[(2-Bromophenoxy)methyl]phenyl]-(1-piperidinyl)methanone
CID 1222996
2-Bromophenyl 4-[(3-methyl-1-piperidinyl)carbonyl]benzyl ether
CID 4142326
N-(3-bromo-4-(2-(pyrrolidin-1-yl)ethoxy)phenethyl)-3-bromobenzamide
CID 44548789
Piperidine, 1-(4-methoxybenzoyl)-
CID 93775
(4-Methoxyphenyl)[4-(morpholin-4-ylcarbonyl)piperidin-1-yl]methanone
CID 801159
N-benzyl-3-bromo-4-ethoxybenzamide
CID 880591
3-bromo-4-methoxy-N-[(4-methyl-1-piperazinyl)carbonothioyl]benzamide
CID 1015624

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methoxyphenyl)-morpholin-4-ylmethanone?
The IUPAC name of (3-bromo-4-methoxyphenyl)-morpholin-4-ylmethanone (CID 729876) is (3-bromo-4-methoxyphenyl)-morpholin-4-ylmethanone.
What is the SMILES notation for (3-bromo-4-methoxyphenyl)-morpholin-4-ylmethanone?
The canonical SMILES for (3-bromo-4-methoxyphenyl)-morpholin-4-ylmethanone is COc1ccc(C(=O)N2CCOCC2)cc1Br.
What is the InChIKey of (3-bromo-4-methoxyphenyl)-morpholin-4-ylmethanone?
The InChIKey is LCGVOPIZAXVBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO3/c1-16-11-3-2-9(8-10(11)13)12(15)14-4-6-17-7-5-14/h2-3,8H,4-7H2,1H3.
What are the key properties of (3-bromo-4-methoxyphenyl)-morpholin-4-ylmethanone?
(3-bromo-4-methoxyphenyl)-morpholin-4-ylmethanone has a molecular weight of 300.15 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methoxyphenyl)-morpholin-4-ylmethanone is sourced from PubChem (CID 729876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).