2-[(8,8-dimethyl-2,7-dihydrochromen-5-yl)oxy]-1-morpholin-4-ylethanone

C17H23NO4 — CID 147927919

IUPAC2-[(8,8-dimethyl-2,7-dihydrochromen-5-yl)oxy]-1-morpholin-4-ylethanone
SMILESCC1(C)CC=C(OCC(=O)N2CCOCC2)C2=C1OCC=C2
InChIInChI=1S/C17H23NO4/c1-17(2)6-5-14(13-4-3-9-21-16(13)17)22-12-15(19)18-7-10-20-11-8-18/h3-5H,6-12H2,1-2H3
InChIKeyIJHFMNHIZWZKEG-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.02
Rot. Bonds3

About 2-[(8,8-dimethyl-2,7-dihydrochromen-5-yl)oxy]-1-morpholin-4-ylethanone

2-[(8,8-dimethyl-2,7-dihydrochromen-5-yl)oxy]-1-morpholin-4-ylethanone (PubChem CID 147927919) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 2-[(8,8-dimethyl-2,7-dihydrochromen-5-yl)oxy]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[(8,8-dimethyl-2,7-dihydrochromen-5-yl)oxy]-1-morpholin-4-ylethanone
PubChem CID147927919
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name2-[(8,8-dimethyl-2,7-dihydrochromen-5-yl)oxy]-1-morpholin-4-ylethanone
SMILESCC1(C)CC=C(OCC(=O)N2CCOCC2)C2=C1OCC=C2
InChIInChI=1S/C17H23NO4/c1-17(2)6-5-14(13-4-3-9-21-16(13)17)22-12-15(19)18-7-10-20-11-8-18/h3-5H,6-12H2,1-2H3
InChIKeyIJHFMNHIZWZKEG-UHFFFAOYSA-N
XLogP2.02
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(8,8-dimethyl-2,7-dihydrochromen-5-yl)oxy]-1-morpholin-4-ylethanone 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-[(8,8-dimethyl-2,7-dihydrochromen-5-yl)oxy]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[(8,8-dimethyl-2,7-dihydrochromen-5-yl)oxy]-1-morpholin-4-ylethanone (CID 147927919) is 2-[(8,8-dimethyl-2,7-dihydrochromen-5-yl)oxy]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[(8,8-dimethyl-2,7-dihydrochromen-5-yl)oxy]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[(8,8-dimethyl-2,7-dihydrochromen-5-yl)oxy]-1-morpholin-4-ylethanone is CC1(C)CC=C(OCC(=O)N2CCOCC2)C2=C1OCC=C2.
What is the InChIKey of 2-[(8,8-dimethyl-2,7-dihydrochromen-5-yl)oxy]-1-morpholin-4-ylethanone?
The InChIKey is IJHFMNHIZWZKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-17(2)6-5-14(13-4-3-9-21-16(13)17)22-12-15(19)18-7-10-20-11-8-18/h3-5H,6-12H2,1-2H3.
What are the key properties of 2-[(8,8-dimethyl-2,7-dihydrochromen-5-yl)oxy]-1-morpholin-4-ylethanone?
2-[(8,8-dimethyl-2,7-dihydrochromen-5-yl)oxy]-1-morpholin-4-ylethanone has a molecular weight of 305.37 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8,8-dimethyl-2,7-dihydrochromen-5-yl)oxy]-1-morpholin-4-ylethanone is sourced from PubChem (CID 147927919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).