(4-iodo-3-phenylmethoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone

C19H20INO3 — CID 172647307

IUPAC(4-iodo-3-phenylmethoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
SMILESC[C@H]1CN(C(=O)c2ccc(I)c(OCc3ccccc3)c2)CCO1
InChIInChI=1S/C19H20INO3/c1-14-12-21(9-10-23-14)19(22)16-7-8-17(20)18(11-16)24-13-15-5-3-2-4-6-15/h2-8,11,14H,9-10,12-13H2,1H3/t14-/m0/s1
InChIKeyLTAODCQNRHFFSI-AWEZNQCLSA-N
MW437.28 g/mol
LogP3.73
Rot. Bonds4

About (4-iodo-3-phenylmethoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone

(4-iodo-3-phenylmethoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone (PubChem CID 172647307) has the molecular formula C19H20INO3 and a molecular weight of 437.28 g/mol. Its IUPAC name is (4-iodo-3-phenylmethoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-iodo-3-phenylmethoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
PubChem CID172647307
Molecular FormulaC19H20INO3
Molecular Weight437.28 g/mol
Exact Mass437.05
IUPAC Name(4-iodo-3-phenylmethoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
SMILESC[C@H]1CN(C(=O)c2ccc(I)c(OCc3ccccc3)c2)CCO1
InChIInChI=1S/C19H20INO3/c1-14-12-21(9-10-23-14)19(22)16-7-8-17(20)18(11-16)24-13-15-5-3-2-4-6-15/h2-8,11,14H,9-10,12-13H2,1H3/t14-/m0/s1
InChIKeyLTAODCQNRHFFSI-AWEZNQCLSA-N
XLogP3.73
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.28
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(3-bromo-4-iodophenyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 172647300
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(3-methoxy-4-phenylmethoxyphenyl)methanone
CID 41292535
(3-iodo-4-propan-2-yloxyphenyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 172647255
(3-iodo-4-phenylmethoxyphenyl)-piperidin-1-ylmethanone
CID 172647558
[(3S,5S)-3,5-dimethylpiperidin-1-yl]-(3-methoxy-4-phenylmethoxyphenyl)methanone
CID 25486073
5-(2-methylmorpholine-4-carbonyl)-2-(2-phenylethyl)isoindole-1,3-dione
CID 51293162
N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-2-phenylethanesulfonamide
CID 110352756
(3-amino-4-methoxyphenyl)-(2-methylmorpholin-4-yl)methanone
CID 16775016
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(6-phenylmethoxy-3-pyridinyl)methanone
CID 95277197
1-benzyl-3-[3-(2-methylmorpholine-4-carbonyl)phenyl]urea
CID 110605020
N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-3-phenoxypropanamide
CID 110352712
(3-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 51710348

Frequently Asked Questions

What is the IUPAC name of (4-iodo-3-phenylmethoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone?
The IUPAC name of (4-iodo-3-phenylmethoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone (CID 172647307) is (4-iodo-3-phenylmethoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone.
What is the SMILES notation for (4-iodo-3-phenylmethoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone?
The canonical SMILES for (4-iodo-3-phenylmethoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone is C[C@H]1CN(C(=O)c2ccc(I)c(OCc3ccccc3)c2)CCO1.
What is the InChIKey of (4-iodo-3-phenylmethoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone?
The InChIKey is LTAODCQNRHFFSI-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20INO3/c1-14-12-21(9-10-23-14)19(22)16-7-8-17(20)18(11-16)24-13-15-5-3-2-4-6-15/h2-8,11,14H,9-10,12-13H2,1H3/t14-/m0/s1.
What are the key properties of (4-iodo-3-phenylmethoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone?
(4-iodo-3-phenylmethoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone has a molecular weight of 437.28 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-iodo-3-phenylmethoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 172647307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).