2-[2,6-bis(ethoxymethyl)-4-propan-2-ylphenoxy]ethyl 2-(hydroxymethyl)-2-methylbutanoate;N-[2,6-bis(hydroxymethyl)-4-propan-2-ylphenyl]-3-(4-butan-2-ylphenoxy)propanamide;2-[2,6-bis(methoxymethyl)-4-methylphenoxy]ethyl 2,2-dimethylbutanoate;(4-butan-2-ylphenyl) 2-[2,6-bis(methoxymethyl)-4-methylphenoxy]-2-methylpropanoate;methane

C99H167NO20 — CID 160951031

IUPAC2-[2,6-bis(ethoxymethyl)-4-propan-2-ylphenoxy]ethyl 2-(hydroxymethyl)-2-methylbutanoate;N-[2,6-bis(hydroxymethyl)-4-propan-2-ylphenyl]-3-(4-butan-2-ylphenoxy)propanamide;2-[2,6-bis(methoxymethyl)-4-methylphenoxy]ethyl 2,2-dimethylbutanoate;(4-butan-2-ylphenyl) 2-[2,6-bis(methoxymethyl)-4-methylphenoxy]-2-methylpropanoate;methane
SMILESC.C.C.C.C.C.C.C.CCC(C)(C)C(=O)OCCOc1c(COC)cc(C)cc1COC.CCC(C)c1ccc(OC(=O)C(C)(C)Oc2c(COC)cc(C)cc2COC)cc1.CCC(C)c1ccc(OCCC(=O)Nc2c(CO)cc(C(C)C)cc2CO)cc1.CCOCc1cc(C(C)C)cc(COCC)c1OCCOC(=O)C(C)(CC)CO
InChIInChI=1S/C25H34O5.C24H33NO4.C23H38O6.C19H30O5.8CH4/c1-8-18(3)19-9-11-22(12-10-19)29-24(26)25(4,5)30-23-20(15-27-6)13-17(2)14-21(23)16-28-7;1-5-17(4)18-6-8-22(9-7-18)29-11-10-23(28)25-24-20(14-26)12-19(16(2)3)13-21(24)15-27;1-7-23(6,16-24)22(25)29-11-10-28-21-19(14-26-8-2)12-18(17(4)5)13-20(21)15-27-9-3;1-7-19(3,4)18(20)24-9-8-23-17-15(12-21-5)10-14(2)11-16(17)13-22-6;;;;;;;;/h9-14,18H,8,15-16H2,1-7H3;6-9,12-13,16-17,26-27H,5,10-11,14-15H2,1-4H3,(H,25,28);12-13,17,24H,7-11,14-16H2,1-6H3;10-11H,7-9,12-13H2,1-6H3;8*1H4
InChIKeySVTLIUCFYNGSNO-UHFFFAOYSA-N
MW1691.41 g/mol
LogP23.23
Rot. Bonds44

About 2-[2,6-bis(ethoxymethyl)-4-propan-2-ylphenoxy]ethyl 2-(hydroxymethyl)-2-methylbutanoate;N-[2,6-bis(hydroxymethyl)-4-propan-2-ylphenyl]-3-(4-butan-2-ylphenoxy)propanamide;2-[2,6-bis(methoxymethyl)-4-methylphenoxy]ethyl 2,2-dimethylbutanoate;(4-butan-2-ylphenyl) 2-[2,6-bis(methoxymethyl)-4-methylphenoxy]-2-methylpropanoate;methane

2-[2,6-bis(ethoxymethyl)-4-propan-2-ylphenoxy]ethyl 2-(hydroxymethyl)-2-methylbutanoate;N-[2,6-bis(hydroxymethyl)-4-propan-2-ylphenyl]-3-(4-butan-2-ylphenoxy)propanamide;2-[2,6-bis(methoxymethyl)-4-methylphenoxy]ethyl 2,2-dimethylbutanoate;(4-butan-2-ylphenyl) 2-[2,6-bis(methoxymethyl)-4-methylphenoxy]-2-methylpropanoate;methane (PubChem CID 160951031) has the molecular formula C99H167NO20 and a molecular weight of 1691.41 g/mol. Its IUPAC name is 2-[2,6-bis(ethoxymethyl)-4-propan-2-ylphenoxy]ethyl 2-(hydroxymethyl)-2-methylbutanoate;N-[2,6-bis(hydroxymethyl)-4-propan-2-ylphenyl]-3-(4-butan-2-ylphenoxy)propanamide;2-[2,6-bis(methoxymethyl)-4-methylphenoxy]ethyl 2,2-dimethylbutanoate;(4-butan-2-ylphenyl) 2-[2,6-bis(methoxymethyl)-4-methylphenoxy]-2-methylpropanoate;methane.

Molecular Properties

Compound Name2-[2,6-bis(ethoxymethyl)-4-propan-2-ylphenoxy]ethyl 2-(hydroxymethyl)-2-methylbutanoate;N-[2,6-bis(hydroxymethyl)-4-propan-2-ylphenyl]-3-(4-butan-2-ylphenoxy)propanamide;2-[2,6-bis(methoxymethyl)-4-methylphenoxy]ethyl 2,2-dimethylbutanoate;(4-butan-2-ylphenyl) 2-[2,6-bis(methoxymethyl)-4-methylphenoxy]-2-methylpropanoate;methane
PubChem CID160951031
Molecular FormulaC99H167NO20
Molecular Weight1691.41 g/mol
Exact Mass1690.21
IUPAC Name2-[2,6-bis(ethoxymethyl)-4-propan-2-ylphenoxy]ethyl 2-(hydroxymethyl)-2-methylbutanoate;N-[2,6-bis(hydroxymethyl)-4-propan-2-ylphenyl]-3-(4-butan-2-ylphenoxy)propanamide;2-[2,6-bis(methoxymethyl)-4-methylphenoxy]ethyl 2,2-dimethylbutanoate;(4-butan-2-ylphenyl) 2-[2,6-bis(methoxymethyl)-4-methylphenoxy]-2-methylpropanoate;methane
SMILESC.C.C.C.C.C.C.C.CCC(C)(C)C(=O)OCCOc1c(COC)cc(C)cc1COC.CCC(C)c1ccc(OC(=O)C(C)(C)Oc2c(COC)cc(C)cc2COC)cc1.CCC(C)c1ccc(OCCC(=O)Nc2c(CO)cc(C(C)C)cc2CO)cc1.CCOCc1cc(C(C)C)cc(COCC)c1OCCOC(=O)C(C)(CC)CO
InChIInChI=1S/C25H34O5.C24H33NO4.C23H38O6.C19H30O5.8CH4/c1-8-18(3)19-9-11-22(12-10-19)29-24(26)25(4,5)30-23-20(15-27-6)13-17(2)14-21(23)16-28-7;1-5-17(4)18-6-8-22(9-7-18)29-11-10-23(28)25-24-20(14-26)12-19(16(2)3)13-21(24)15-27;1-7-23(6,16-24)22(25)29-11-10-28-21-19(14-26-8-2)12-18(17(4)5)13-20(21)15-27-9-3;1-7-19(3,4)18(20)24-9-8-23-17-15(12-21-5)10-14(2)11-16(17)13-22-6;;;;;;;;/h9-14,18H,8,15-16H2,1-7H3;6-9,12-13,16-17,26-27H,5,10-11,14-15H2,1-4H3,(H,25,28);12-13,17,24H,7-11,14-16H2,1-6H3;10-11H,7-9,12-13H2,1-6H3;8*1H4
InChIKeySVTLIUCFYNGSNO-UHFFFAOYSA-N
XLogP23.23
TPSA260.99 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds44
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001691.41
LogP ≤ 523.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 2-[2,6-bis(ethoxymethyl)-4-propan-2-ylphenoxy]ethyl 2-(hydroxymethyl)-2-methylbutanoate;N-[2,6-bis(hydroxymethyl)-4-propan-2-ylphenyl]-3-(4-butan-2-ylphenoxy)propanamide;2-[2,6-bis(methoxymethyl)-4-methylphenoxy]ethyl 2,2-dimethylbutanoate;(4-butan-2-ylphenyl) 2-[2,6-bis(methoxymethyl)-4-methylphenoxy]-2-methylpropanoate;methane 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-[2,6-bis(ethoxymethyl)-4-propan-2-ylphenoxy]ethyl 2-(hydroxymethyl)-2-methylbutanoate;N-[2,6-bis(hydroxymethyl)-4-propan-2-ylphenyl]-3-(4-butan-2-ylphenoxy)propanamide;2-[2,6-bis(methoxymethyl)-4-methylphenoxy]ethyl 2,2-dimethylbutanoate;(4-butan-2-ylphenyl) 2-[2,6-bis(methoxymethyl)-4-methylphenoxy]-2-methylpropanoate;methane?
The IUPAC name of 2-[2,6-bis(ethoxymethyl)-4-propan-2-ylphenoxy]ethyl 2-(hydroxymethyl)-2-methylbutanoate;N-[2,6-bis(hydroxymethyl)-4-propan-2-ylphenyl]-3-(4-butan-2-ylphenoxy)propanamide;2-[2,6-bis(methoxymethyl)-4-methylphenoxy]ethyl 2,2-dimethylbutanoate;(4-butan-2-ylphenyl) 2-[2,6-bis(methoxymethyl)-4-methylphenoxy]-2-methylpropanoate;methane (CID 160951031) is 2-[2,6-bis(ethoxymethyl)-4-propan-2-ylphenoxy]ethyl 2-(hydroxymethyl)-2-methylbutanoate;N-[2,6-bis(hydroxymethyl)-4-propan-2-ylphenyl]-3-(4-butan-2-ylphenoxy)propanamide;2-[2,6-bis(methoxymethyl)-4-methylphenoxy]ethyl 2,2-dimethylbutanoate;(4-butan-2-ylphenyl) 2-[2,6-bis(methoxymethyl)-4-methylphenoxy]-2-methylpropanoate;methane.
What is the SMILES notation for 2-[2,6-bis(ethoxymethyl)-4-propan-2-ylphenoxy]ethyl 2-(hydroxymethyl)-2-methylbutanoate;N-[2,6-bis(hydroxymethyl)-4-propan-2-ylphenyl]-3-(4-butan-2-ylphenoxy)propanamide;2-[2,6-bis(methoxymethyl)-4-methylphenoxy]ethyl 2,2-dimethylbutanoate;(4-butan-2-ylphenyl) 2-[2,6-bis(methoxymethyl)-4-methylphenoxy]-2-methylpropanoate;methane?
The canonical SMILES for 2-[2,6-bis(ethoxymethyl)-4-propan-2-ylphenoxy]ethyl 2-(hydroxymethyl)-2-methylbutanoate;N-[2,6-bis(hydroxymethyl)-4-propan-2-ylphenyl]-3-(4-butan-2-ylphenoxy)propanamide;2-[2,6-bis(methoxymethyl)-4-methylphenoxy]ethyl 2,2-dimethylbutanoate;(4-butan-2-ylphenyl) 2-[2,6-bis(methoxymethyl)-4-methylphenoxy]-2-methylpropanoate;methane is C.C.C.C.C.C.C.C.CCC(C)(C)C(=O)OCCOc1c(COC)cc(C)cc1COC.CCC(C)c1ccc(OC(=O)C(C)(C)Oc2c(COC)cc(C)cc2COC)cc1.CCC(C)c1ccc(OCCC(=O)Nc2c(CO)cc(C(C)C)cc2CO)cc1.CCOCc1cc(C(C)C)cc(COCC)c1OCCOC(=O)C(C)(CC)CO.
What is the InChIKey of 2-[2,6-bis(ethoxymethyl)-4-propan-2-ylphenoxy]ethyl 2-(hydroxymethyl)-2-methylbutanoate;N-[2,6-bis(hydroxymethyl)-4-propan-2-ylphenyl]-3-(4-butan-2-ylphenoxy)propanamide;2-[2,6-bis(methoxymethyl)-4-methylphenoxy]ethyl 2,2-dimethylbutanoate;(4-butan-2-ylphenyl) 2-[2,6-bis(methoxymethyl)-4-methylphenoxy]-2-methylpropanoate;methane?
The InChIKey is SVTLIUCFYNGSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34O5.C24H33NO4.C23H38O6.C19H30O5.8CH4/c1-8-18(3)19-9-11-22(12-10-19)29-24(26)25(4,5)30-23-20(15-27-6)13-17(2)14-21(23)16-28-7;1-5-17(4)18-6-8-22(9-7-18)29-11-10-23(28)25-24-20(14-26)12-19(16(2)3)13-21(24)15-27;1-7-23(6,16-24)22(25)29-11-10-28-21-19(14-26-8-2)12-18(17(4)5)13-20(21)15-27-9-3;1-7-19(3,4)18(20)24-9-8-23-17-15(12-21-5)10-14(2)11-16(17)13-22-6;;;;;;;;/h9-14,18H,8,15-16H2,1-7H3;6-9,12-13,16-17,26-27H,5,10-11,14-15H2,1-4H3,(H,25,28);12-13,17,24H,7-11,14-16H2,1-6H3;10-11H,7-9,12-13H2,1-6H3;8*1H4.
What are the key properties of 2-[2,6-bis(ethoxymethyl)-4-propan-2-ylphenoxy]ethyl 2-(hydroxymethyl)-2-methylbutanoate;N-[2,6-bis(hydroxymethyl)-4-propan-2-ylphenyl]-3-(4-butan-2-ylphenoxy)propanamide;2-[2,6-bis(methoxymethyl)-4-methylphenoxy]ethyl 2,2-dimethylbutanoate;(4-butan-2-ylphenyl) 2-[2,6-bis(methoxymethyl)-4-methylphenoxy]-2-methylpropanoate;methane?
2-[2,6-bis(ethoxymethyl)-4-propan-2-ylphenoxy]ethyl 2-(hydroxymethyl)-2-methylbutanoate;N-[2,6-bis(hydroxymethyl)-4-propan-2-ylphenyl]-3-(4-butan-2-ylphenoxy)propanamide;2-[2,6-bis(methoxymethyl)-4-methylphenoxy]ethyl 2,2-dimethylbutanoate;(4-butan-2-ylphenyl) 2-[2,6-bis(methoxymethyl)-4-methylphenoxy]-2-methylpropanoate;methane has a molecular weight of 1691.41 g/mol, XLogP of 23.23, 44 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-bis(ethoxymethyl)-4-propan-2-ylphenoxy]ethyl 2-(hydroxymethyl)-2-methylbutanoate;N-[2,6-bis(hydroxymethyl)-4-propan-2-ylphenyl]-3-(4-butan-2-ylphenoxy)propanamide;2-[2,6-bis(methoxymethyl)-4-methylphenoxy]ethyl 2,2-dimethylbutanoate;(4-butan-2-ylphenyl) 2-[2,6-bis(methoxymethyl)-4-methylphenoxy]-2-methylpropanoate;methane is sourced from PubChem (CID 160951031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).