(2-methylcyclohexa-2,5-dien-1-yl)-[2-(phenoxymethyl)morpholin-4-yl]methanone

C19H23NO3 — CID 46100133

IUPAC(2-methylcyclohexa-2,5-dien-1-yl)-[2-(phenoxymethyl)morpholin-4-yl]methanone
SMILESCC1=CCC=CC1C(=O)N1CCOC(COc2ccccc2)C1
InChIInChI=1S/C19H23NO3/c1-15-7-5-6-10-18(15)19(21)20-11-12-22-17(13-20)14-23-16-8-3-2-4-9-16/h2-4,6-10,17-18H,5,11-14H2,1H3
InChIKeyMLSYDWKAIVRUHZ-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.82
Rot. Bonds4

About (2-methylcyclohexa-2,5-dien-1-yl)-[2-(phenoxymethyl)morpholin-4-yl]methanone

(2-methylcyclohexa-2,5-dien-1-yl)-[2-(phenoxymethyl)morpholin-4-yl]methanone (PubChem CID 46100133) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is (2-methylcyclohexa-2,5-dien-1-yl)-[2-(phenoxymethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(2-methylcyclohexa-2,5-dien-1-yl)-[2-(phenoxymethyl)morpholin-4-yl]methanone
PubChem CID46100133
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name(2-methylcyclohexa-2,5-dien-1-yl)-[2-(phenoxymethyl)morpholin-4-yl]methanone
SMILESCC1=CCC=CC1C(=O)N1CCOC(COc2ccccc2)C1
InChIInChI=1S/C19H23NO3/c1-15-7-5-6-10-18(15)19(21)20-11-12-22-17(13-20)14-23-16-8-3-2-4-9-16/h2-4,6-10,17-18H,5,11-14H2,1H3
InChIKeyMLSYDWKAIVRUHZ-UHFFFAOYSA-N
XLogP2.82
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2-methylcyclohexa-2,5-dien-1-yl)-[2-(phenoxymethyl)morpholin-4-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-methylcyclohexa-2,5-dien-1-yl)-[2-(phenoxymethyl)morpholin-4-yl]methanone?
The IUPAC name of (2-methylcyclohexa-2,5-dien-1-yl)-[2-(phenoxymethyl)morpholin-4-yl]methanone (CID 46100133) is (2-methylcyclohexa-2,5-dien-1-yl)-[2-(phenoxymethyl)morpholin-4-yl]methanone.
What is the SMILES notation for (2-methylcyclohexa-2,5-dien-1-yl)-[2-(phenoxymethyl)morpholin-4-yl]methanone?
The canonical SMILES for (2-methylcyclohexa-2,5-dien-1-yl)-[2-(phenoxymethyl)morpholin-4-yl]methanone is CC1=CCC=CC1C(=O)N1CCOC(COc2ccccc2)C1.
What is the InChIKey of (2-methylcyclohexa-2,5-dien-1-yl)-[2-(phenoxymethyl)morpholin-4-yl]methanone?
The InChIKey is MLSYDWKAIVRUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-15-7-5-6-10-18(15)19(21)20-11-12-22-17(13-20)14-23-16-8-3-2-4-9-16/h2-4,6-10,17-18H,5,11-14H2,1H3.
What are the key properties of (2-methylcyclohexa-2,5-dien-1-yl)-[2-(phenoxymethyl)morpholin-4-yl]methanone?
(2-methylcyclohexa-2,5-dien-1-yl)-[2-(phenoxymethyl)morpholin-4-yl]methanone has a molecular weight of 313.40 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclohexa-2,5-dien-1-yl)-[2-(phenoxymethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 46100133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).