(3-iodo-4-propan-2-yloxyphenyl)-[(2R)-2-methylmorpholin-4-yl]methanone

C15H20INO3 — CID 172647255

IUPAC(3-iodo-4-propan-2-yloxyphenyl)-[(2R)-2-methylmorpholin-4-yl]methanone
SMILESCC(C)Oc1ccc(C(=O)N2CCO[C@H](C)C2)cc1I
InChIInChI=1S/C15H20INO3/c1-10(2)20-14-5-4-12(8-13(14)16)15(18)17-6-7-19-11(3)9-17/h4-5,8,10-11H,6-7,9H2,1-3H3/t11-/m1/s1
InChIKeyOBCVXOKYECSPDK-LLVKDONJSA-N
MW389.23 g/mol
LogP2.94
Rot. Bonds3

About (3-iodo-4-propan-2-yloxyphenyl)-[(2R)-2-methylmorpholin-4-yl]methanone

(3-iodo-4-propan-2-yloxyphenyl)-[(2R)-2-methylmorpholin-4-yl]methanone (PubChem CID 172647255) has the molecular formula C15H20INO3 and a molecular weight of 389.23 g/mol. Its IUPAC name is (3-iodo-4-propan-2-yloxyphenyl)-[(2R)-2-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(3-iodo-4-propan-2-yloxyphenyl)-[(2R)-2-methylmorpholin-4-yl]methanone
PubChem CID172647255
Molecular FormulaC15H20INO3
Molecular Weight389.23 g/mol
Exact Mass389.05
IUPAC Name(3-iodo-4-propan-2-yloxyphenyl)-[(2R)-2-methylmorpholin-4-yl]methanone
SMILESCC(C)Oc1ccc(C(=O)N2CCO[C@H](C)C2)cc1I
InChIInChI=1S/C15H20INO3/c1-10(2)20-14-5-4-12(8-13(14)16)15(18)17-6-7-19-11(3)9-17/h4-5,8,10-11H,6-7,9H2,1-3H3/t11-/m1/s1
InChIKeyOBCVXOKYECSPDK-LLVKDONJSA-N
XLogP2.94
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.23
LogP ≤ 52.94
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
(3-amino-4-methoxyphenyl)-(2-methylmorpholin-4-yl)methanone
CID 16775016
(4-iodo-3-phenylmethoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 172647307
(4-methoxy-3-methylsulfonylphenyl)-(2-methylmorpholin-4-yl)methanone
CID 110631332
(6-bromonaphthalen-2-yl)-(2-methylmorpholin-4-yl)methanone
CID 115283093
(3-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 51710348
1-(3-iodo-4-propan-2-yloxyphenyl)ethanone
CID 153246357
[4-(methylamino)phenyl]-(2-methylmorpholin-4-yl)methanone
CID 62173081
(3,5-dimethoxyphenyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 51710349
4-(3-iodo-4-methylbenzoyl)morpholine-2-carboxylic acid
CID 119239111
2-methyl-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]propanamide
CID 110352926
[(2S)-2-methylmorpholin-4-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 51710382

Frequently Asked Questions

What is the IUPAC name of (3-iodo-4-propan-2-yloxyphenyl)-[(2R)-2-methylmorpholin-4-yl]methanone?
The IUPAC name of (3-iodo-4-propan-2-yloxyphenyl)-[(2R)-2-methylmorpholin-4-yl]methanone (CID 172647255) is (3-iodo-4-propan-2-yloxyphenyl)-[(2R)-2-methylmorpholin-4-yl]methanone.
What is the SMILES notation for (3-iodo-4-propan-2-yloxyphenyl)-[(2R)-2-methylmorpholin-4-yl]methanone?
The canonical SMILES for (3-iodo-4-propan-2-yloxyphenyl)-[(2R)-2-methylmorpholin-4-yl]methanone is CC(C)Oc1ccc(C(=O)N2CCO[C@H](C)C2)cc1I.
What is the InChIKey of (3-iodo-4-propan-2-yloxyphenyl)-[(2R)-2-methylmorpholin-4-yl]methanone?
The InChIKey is OBCVXOKYECSPDK-LLVKDONJSA-N. The full InChI is InChI=1S/C15H20INO3/c1-10(2)20-14-5-4-12(8-13(14)16)15(18)17-6-7-19-11(3)9-17/h4-5,8,10-11H,6-7,9H2,1-3H3/t11-/m1/s1.
What are the key properties of (3-iodo-4-propan-2-yloxyphenyl)-[(2R)-2-methylmorpholin-4-yl]methanone?
(3-iodo-4-propan-2-yloxyphenyl)-[(2R)-2-methylmorpholin-4-yl]methanone has a molecular weight of 389.23 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-iodo-4-propan-2-yloxyphenyl)-[(2R)-2-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 172647255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).