(5-chloro-2-phenylmethoxyphenyl)-morpholin-4-ylmethanone

C18H18ClNO3 — CID 6462908

IUPAC(5-chloro-2-phenylmethoxyphenyl)-morpholin-4-ylmethanone
SMILESO=C(c1cc(Cl)ccc1OCc1ccccc1)N1CCOCC1
InChIInChI=1S/C18H18ClNO3/c19-15-6-7-17(23-13-14-4-2-1-3-5-14)16(12-15)18(21)20-8-10-22-11-9-20/h1-7,12H,8-11,13H2
InChIKeyXQURBRXMUCTGMH-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.39
Rot. Bonds4

About (5-chloro-2-phenylmethoxyphenyl)-morpholin-4-ylmethanone

(5-chloro-2-phenylmethoxyphenyl)-morpholin-4-ylmethanone (PubChem CID 6462908) has the molecular formula C18H18ClNO3 and a molecular weight of 331.80 g/mol. Its IUPAC name is (5-chloro-2-phenylmethoxyphenyl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(5-chloro-2-phenylmethoxyphenyl)-morpholin-4-ylmethanone
PubChem CID6462908
Molecular FormulaC18H18ClNO3
Molecular Weight331.80 g/mol
Exact Mass331.10
IUPAC Name(5-chloro-2-phenylmethoxyphenyl)-morpholin-4-ylmethanone
SMILESO=C(c1cc(Cl)ccc1OCc1ccccc1)N1CCOCC1
InChIInChI=1S/C18H18ClNO3/c19-15-6-7-17(23-13-14-4-2-1-3-5-14)16(12-15)18(21)20-8-10-22-11-9-20/h1-7,12H,8-11,13H2
InChIKeyXQURBRXMUCTGMH-UHFFFAOYSA-N
XLogP3.39
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Seclazone
CID 34443
5-chloro-2-methoxy-N-(2-methylpropyl)benzamide
CID 874434
4-(2-(2-((2R,5S)-4-(4-fluorobenzyl)-2,5-dimethylpiperazin-1-yl)-2-oxoethoxy)-5-chlorophenyl)-4-oxobutanoic acid
CID 44431529
2-[2-[[1-(3-Chloro-4-fluorobenzoyl)-4-fluoropiperidin-4-yl]methylamino]ethoxy]benzamide
CID 132247303
(3,4-Dichlorophenyl)-[4-fluoro-4-[(2-phenoxyethylamino)methyl]piperidin-1-yl]methanone
CID 132247305
3-[2-[[1-(3-Chloro-4-fluorobenzoyl)-4-fluoropiperidin-4-yl]methylamino]ethoxy]benzamide
CID 132247308
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[2-[3-(trifluoromethyl)phenoxy]ethylamino]methyl]piperidin-1-yl]methanone
CID 132247309
(3-Chloro-4-fluorophenyl)-[4-[[2-(3-chlorophenoxy)ethylamino]methyl]-4-fluoropiperidin-1-yl]methanone
CID 132256730
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[(2-phenoxyethylamino)methyl]piperidin-1-yl]methanone
CID 132256734
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[2-(3-methylphenoxy)ethylamino]methyl]piperidin-1-yl]methanone
CID 132256749
(3-Chloro-4-fluorophenyl)-[4-[[2-(2-chlorophenoxy)ethylamino]methyl]-4-fluoropiperidin-1-yl]methanone
CID 132256811
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[2-(4-fluorophenoxy)ethylamino]methyl]piperidin-1-yl]methanone
CID 132257061

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-phenylmethoxyphenyl)-morpholin-4-ylmethanone?
The IUPAC name of (5-chloro-2-phenylmethoxyphenyl)-morpholin-4-ylmethanone (CID 6462908) is (5-chloro-2-phenylmethoxyphenyl)-morpholin-4-ylmethanone.
What is the SMILES notation for (5-chloro-2-phenylmethoxyphenyl)-morpholin-4-ylmethanone?
The canonical SMILES for (5-chloro-2-phenylmethoxyphenyl)-morpholin-4-ylmethanone is O=C(c1cc(Cl)ccc1OCc1ccccc1)N1CCOCC1.
What is the InChIKey of (5-chloro-2-phenylmethoxyphenyl)-morpholin-4-ylmethanone?
The InChIKey is XQURBRXMUCTGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO3/c19-15-6-7-17(23-13-14-4-2-1-3-5-14)16(12-15)18(21)20-8-10-22-11-9-20/h1-7,12H,8-11,13H2.
What are the key properties of (5-chloro-2-phenylmethoxyphenyl)-morpholin-4-ylmethanone?
(5-chloro-2-phenylmethoxyphenyl)-morpholin-4-ylmethanone has a molecular weight of 331.80 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-phenylmethoxyphenyl)-morpholin-4-ylmethanone is sourced from PubChem (CID 6462908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).