2-[4-[4-[4-(1-ethoxyethoxy)phenyl]-6-(4-hydroxyphenyl)octan-2-yl]phenoxy]-1-morpholin-4-ylethanone

C36H47NO6 — CID 20702512

IUPAC2-[4-[4-[4-(1-ethoxyethoxy)phenyl]-6-(4-hydroxyphenyl)octan-2-yl]phenoxy]-1-morpholin-4-ylethanone
SMILESCCOC(C)Oc1ccc(C(CC(C)c2ccc(OCC(=O)N3CCOCC3)cc2)CC(CC)c2ccc(O)cc2)cc1
InChIInChI=1S/C36H47NO6/c1-5-28(30-7-13-33(38)14-8-30)24-32(31-11-17-35(18-12-31)43-27(4)41-6-2)23-26(3)29-9-15-34(16-10-29)42-25-36(39)37-19-21-40-22-20-37/h7-18,26-28,32,38H,5-6,19-25H2,1-4H3
InChIKeyBJOJNOBHKVBCBE-UHFFFAOYSA-N
MW589.77 g/mol
LogP7.25
Rot. Bonds15

About 2-[4-[4-[4-(1-ethoxyethoxy)phenyl]-6-(4-hydroxyphenyl)octan-2-yl]phenoxy]-1-morpholin-4-ylethanone

2-[4-[4-[4-(1-ethoxyethoxy)phenyl]-6-(4-hydroxyphenyl)octan-2-yl]phenoxy]-1-morpholin-4-ylethanone (PubChem CID 20702512) has the molecular formula C36H47NO6 and a molecular weight of 589.77 g/mol. Its IUPAC name is 2-[4-[4-[4-(1-ethoxyethoxy)phenyl]-6-(4-hydroxyphenyl)octan-2-yl]phenoxy]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-[4-[4-(1-ethoxyethoxy)phenyl]-6-(4-hydroxyphenyl)octan-2-yl]phenoxy]-1-morpholin-4-ylethanone
PubChem CID20702512
Molecular FormulaC36H47NO6
Molecular Weight589.77 g/mol
Exact Mass589.34
IUPAC Name2-[4-[4-[4-(1-ethoxyethoxy)phenyl]-6-(4-hydroxyphenyl)octan-2-yl]phenoxy]-1-morpholin-4-ylethanone
SMILESCCOC(C)Oc1ccc(C(CC(C)c2ccc(OCC(=O)N3CCOCC3)cc2)CC(CC)c2ccc(O)cc2)cc1
InChIInChI=1S/C36H47NO6/c1-5-28(30-7-13-33(38)14-8-30)24-32(31-11-17-35(18-12-31)43-27(4)41-6-2)23-26(3)29-9-15-34(16-10-29)42-25-36(39)37-19-21-40-22-20-37/h7-18,26-28,32,38H,5-6,19-25H2,1-4H3
InChIKeyBJOJNOBHKVBCBE-UHFFFAOYSA-N
XLogP7.25
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.77
LogP ≤ 57.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-[4-[4-[4-(1-ethoxyethoxy)phenyl]-6-(4-hydroxyphenyl)octan-2-yl]phenoxy]-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

Related Compounds

2-(4-hydroxyphenoxy)-1-morpholin-4-ylethanone
CID 43143408
2-[4-[4-(1-ethoxyethoxy)phenyl]-2-(4-hydroxyphenyl)pentyl]-3-methylbutanedinitrile;methyl 2-[4-[4-(4-hydroxyphenyl)-6-phenyloctan-2-yl]phenoxy]acetate
CID 91138259
2-[4-[[4-[(2S)-butan-2-yl]phenyl]iminomethyl]phenoxy]-1-morpholin-4-ylethanone
CID 126246659
2-(4-butan-2-ylphenoxy)-1-piperidin-1-ylethanone
CID 103599891
2-(4-methylphenoxy)-1-morpholin-4-ylethanone
CID 674914
1-butan-2-yl-4-(1-ethoxyethoxy)benzene;4-butan-2-ylphenol;(4-butan-2-ylphenyl) methyl carbonate
CID 91394144
2-[1-[4-[5-(4-propan-2-yloxyphenyl)hexan-3-yl]phenoxy]ethoxy]ethanol
CID 145290862
2-[3-[4-(1-ethoxyethoxy)phenyl]-1-(4-hydroxyphenyl)pentyl]-3-methylbutanedinitrile
CID 20725431
tert-butyl 4-[6-(4-hydroxyphenyl)-2-[4-(methoxymethoxy)phenyl]octan-4-yl]benzoate
CID 54252058
2-[4-(ethylaminomethyl)phenoxy]-1-morpholin-4-ylethanone
CID 43276966
2-(4-hydroxyphenoxy)-1-[4-(2-phenoxyacetyl)piperazin-1-yl]propan-1-one
CID 108534685
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide
CID 7203468

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[4-(1-ethoxyethoxy)phenyl]-6-(4-hydroxyphenyl)octan-2-yl]phenoxy]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-[4-[4-(1-ethoxyethoxy)phenyl]-6-(4-hydroxyphenyl)octan-2-yl]phenoxy]-1-morpholin-4-ylethanone (CID 20702512) is 2-[4-[4-[4-(1-ethoxyethoxy)phenyl]-6-(4-hydroxyphenyl)octan-2-yl]phenoxy]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-[4-[4-(1-ethoxyethoxy)phenyl]-6-(4-hydroxyphenyl)octan-2-yl]phenoxy]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-[4-[4-(1-ethoxyethoxy)phenyl]-6-(4-hydroxyphenyl)octan-2-yl]phenoxy]-1-morpholin-4-ylethanone is CCOC(C)Oc1ccc(C(CC(C)c2ccc(OCC(=O)N3CCOCC3)cc2)CC(CC)c2ccc(O)cc2)cc1.
What is the InChIKey of 2-[4-[4-[4-(1-ethoxyethoxy)phenyl]-6-(4-hydroxyphenyl)octan-2-yl]phenoxy]-1-morpholin-4-ylethanone?
The InChIKey is BJOJNOBHKVBCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H47NO6/c1-5-28(30-7-13-33(38)14-8-30)24-32(31-11-17-35(18-12-31)43-27(4)41-6-2)23-26(3)29-9-15-34(16-10-29)42-25-36(39)37-19-21-40-22-20-37/h7-18,26-28,32,38H,5-6,19-25H2,1-4H3.
What are the key properties of 2-[4-[4-[4-(1-ethoxyethoxy)phenyl]-6-(4-hydroxyphenyl)octan-2-yl]phenoxy]-1-morpholin-4-ylethanone?
2-[4-[4-[4-(1-ethoxyethoxy)phenyl]-6-(4-hydroxyphenyl)octan-2-yl]phenoxy]-1-morpholin-4-ylethanone has a molecular weight of 589.77 g/mol, XLogP of 7.25, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[4-(1-ethoxyethoxy)phenyl]-6-(4-hydroxyphenyl)octan-2-yl]phenoxy]-1-morpholin-4-ylethanone is sourced from PubChem (CID 20702512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).