2-[3-ethyl-2-hydroxy-5-[1-(4-methoxyphenyl)propyl]phenyl]-4-[1-(4-methoxyphenyl)ethyl]-6-methylphenol;2-[3-ethyl-2-hydroxy-5-(1-pyridin-4-ylpropyl)phenyl]-6-methyl-4-(1-pyridin-4-ylethyl)phenol;2-[3-ethyl-2-hydroxy-5-(1-thiophen-3-ylpropyl)phenyl]-6-methyl-4-(1-thiophen-3-ylethyl)phenol

C92H100N2O8S2 — CID 158263790

IUPAC2-[3-ethyl-2-hydroxy-5-[1-(4-methoxyphenyl)propyl]phenyl]-4-[1-(4-methoxyphenyl)ethyl]-6-methylphenol;2-[3-ethyl-2-hydroxy-5-(1-pyridin-4-ylpropyl)phenyl]-6-methyl-4-(1-pyridin-4-ylethyl)phenol;2-[3-ethyl-2-hydroxy-5-(1-thiophen-3-ylpropyl)phenyl]-6-methyl-4-(1-thiophen-3-ylethyl)phenol
SMILESCCc1cc(C(CC)c2ccc(OC)cc2)cc(-c2cc(C(C)c3ccc(OC)cc3)cc(C)c2O)c1O.CCc1cc(C(CC)c2ccncc2)cc(-c2cc(C(C)c3ccncc3)cc(C)c2O)c1O.CCc1cc(C(CC)c2ccsc2)cc(-c2cc(C(C)c3ccsc3)cc(C)c2O)c1O
InChIInChI=1S/C34H38O4.C30H32N2O2.C28H30O2S2/c1-7-23-18-27(30(8-2)25-11-15-29(38-6)16-12-25)20-32(34(23)36)31-19-26(17-21(3)33(31)35)22(4)24-9-13-28(37-5)14-10-24;1-5-21-16-25(26(6-2)23-9-13-32-14-10-23)18-28(30(21)34)27-17-24(15-19(3)29(27)33)20(4)22-7-11-31-12-8-22;1-5-19-12-23(24(6-2)21-8-10-32-16-21)14-26(28(19)30)25-13-22(11-17(3)27(25)29)18(4)20-7-9-31-15-20/h9-20,22,30,35-36H,7-8H2,1-6H3;7-18,20,26,33-34H,5-6H2,1-4H3;7-16,18,24,29-30H,5-6H2,1-4H3
InChIKeyGIEQKZHRPHWHAE-UHFFFAOYSA-N
MW1425.95 g/mol
LogP23.92
Rot. Bonds23

About 2-[3-ethyl-2-hydroxy-5-[1-(4-methoxyphenyl)propyl]phenyl]-4-[1-(4-methoxyphenyl)ethyl]-6-methylphenol;2-[3-ethyl-2-hydroxy-5-(1-pyridin-4-ylpropyl)phenyl]-6-methyl-4-(1-pyridin-4-ylethyl)phenol;2-[3-ethyl-2-hydroxy-5-(1-thiophen-3-ylpropyl)phenyl]-6-methyl-4-(1-thiophen-3-ylethyl)phenol

2-[3-ethyl-2-hydroxy-5-[1-(4-methoxyphenyl)propyl]phenyl]-4-[1-(4-methoxyphenyl)ethyl]-6-methylphenol;2-[3-ethyl-2-hydroxy-5-(1-pyridin-4-ylpropyl)phenyl]-6-methyl-4-(1-pyridin-4-ylethyl)phenol;2-[3-ethyl-2-hydroxy-5-(1-thiophen-3-ylpropyl)phenyl]-6-methyl-4-(1-thiophen-3-ylethyl)phenol (PubChem CID 158263790) has the molecular formula C92H100N2O8S2 and a molecular weight of 1425.95 g/mol. Its IUPAC name is 2-[3-ethyl-2-hydroxy-5-[1-(4-methoxyphenyl)propyl]phenyl]-4-[1-(4-methoxyphenyl)ethyl]-6-methylphenol;2-[3-ethyl-2-hydroxy-5-(1-pyridin-4-ylpropyl)phenyl]-6-methyl-4-(1-pyridin-4-ylethyl)phenol;2-[3-ethyl-2-hydroxy-5-(1-thiophen-3-ylpropyl)phenyl]-6-methyl-4-(1-thiophen-3-ylethyl)phenol.

Molecular Properties

Compound Name2-[3-ethyl-2-hydroxy-5-[1-(4-methoxyphenyl)propyl]phenyl]-4-[1-(4-methoxyphenyl)ethyl]-6-methylphenol;2-[3-ethyl-2-hydroxy-5-(1-pyridin-4-ylpropyl)phenyl]-6-methyl-4-(1-pyridin-4-ylethyl)phenol;2-[3-ethyl-2-hydroxy-5-(1-thiophen-3-ylpropyl)phenyl]-6-methyl-4-(1-thiophen-3-ylethyl)phenol
PubChem CID158263790
Molecular FormulaC92H100N2O8S2
Molecular Weight1425.95 g/mol
Exact Mass1424.69
IUPAC Name2-[3-ethyl-2-hydroxy-5-[1-(4-methoxyphenyl)propyl]phenyl]-4-[1-(4-methoxyphenyl)ethyl]-6-methylphenol;2-[3-ethyl-2-hydroxy-5-(1-pyridin-4-ylpropyl)phenyl]-6-methyl-4-(1-pyridin-4-ylethyl)phenol;2-[3-ethyl-2-hydroxy-5-(1-thiophen-3-ylpropyl)phenyl]-6-methyl-4-(1-thiophen-3-ylethyl)phenol
SMILESCCc1cc(C(CC)c2ccc(OC)cc2)cc(-c2cc(C(C)c3ccc(OC)cc3)cc(C)c2O)c1O.CCc1cc(C(CC)c2ccncc2)cc(-c2cc(C(C)c3ccncc3)cc(C)c2O)c1O.CCc1cc(C(CC)c2ccsc2)cc(-c2cc(C(C)c3ccsc3)cc(C)c2O)c1O
InChIInChI=1S/C34H38O4.C30H32N2O2.C28H30O2S2/c1-7-23-18-27(30(8-2)25-11-15-29(38-6)16-12-25)20-32(34(23)36)31-19-26(17-21(3)33(31)35)22(4)24-9-13-28(37-5)14-10-24;1-5-21-16-25(26(6-2)23-9-13-32-14-10-23)18-28(30(21)34)27-17-24(15-19(3)29(27)33)20(4)22-7-11-31-12-8-22;1-5-19-12-23(24(6-2)21-8-10-32-16-21)14-26(28(19)30)25-13-22(11-17(3)27(25)29)18(4)20-7-9-31-15-20/h9-20,22,30,35-36H,7-8H2,1-6H3;7-18,20,26,33-34H,5-6H2,1-4H3;7-16,18,24,29-30H,5-6H2,1-4H3
InChIKeyGIEQKZHRPHWHAE-UHFFFAOYSA-N
XLogP23.92
TPSA165.62 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds23
Heavy Atoms104
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001425.95
LogP ≤ 523.92
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Analyze 2-[3-ethyl-2-hydroxy-5-[1-(4-methoxyphenyl)propyl]phenyl]-4-[1-(4-methoxyphenyl)ethyl]-6-methylphenol;2-[3-ethyl-2-hydroxy-5-(1-pyridin-4-ylpropyl)phenyl]-6-methyl-4-(1-pyridin-4-ylethyl)phenol;2-[3-ethyl-2-hydroxy-5-(1-thiophen-3-ylpropyl)phenyl]-6-methyl-4-(1-thiophen-3-ylethyl)phenol 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-Chloro-4-[4-(2,2-dimethylpropyl)phenyl]thiophene;2-chloro-5-[4-(2,2-dimethylpropyl)phenyl]thiophene;1-(2,2-dimethylpropyl)-4-(3-ethylphenyl)benzene;1-(2,2-dimethylpropyl)-4-(4-ethylphenyl)benzene;1-(2,2-dimethylpropyl)-4-[3-(methoxymethyl)phenyl]benzene;1-(2,2-dimethylpropyl)-4-(3-methoxyphenyl)benzene;1-(2,2-dimethylpropyl)-4-(4-methoxyphenyl)benzene;[3-[4-(2,2-dimethylpropyl)phenyl]phenyl]methanol;3-[4-(2,2-dimethylpropyl)phenyl]pyridine;4-[4-(2,2-dimethylpropyl)phenyl]pyridine;1-(2,2-dimethylpropyl)-4-[3-(trifluoromethyl)phenyl]benzene;1-(2,2-dimethylpropyl)-4-[4-(trifluoromethyl)phenyl]benzene
CID 158847347
2-[2-Methoxy-5-[4-[3,3,4,4,5,5,6,6-octafluoro-2-[5-(4-methoxy-3-pyridin-2-ylphenyl)thiophen-3-yl]cyclohexen-1-yl]thiophen-2-yl]phenyl]pyridine
CID 166754522
2-[5-[4-[3,3,4,4,5,5-Hexafluoro-2-[5-(4-methoxy-3-pyridin-2-ylphenyl)thiophen-3-yl]cyclopenten-1-yl]thiophen-2-yl]-2-methoxyphenyl]pyridine
CID 166754527
3-[5-[4-[3,3,4,4,5,5-Hexafluoro-2-[5-(3-isoquinolin-3-yl-4-methoxyphenyl)thiophen-3-yl]cyclopenten-1-yl]thiophen-2-yl]-2-methoxyphenyl]isoquinoline
CID 166754530
4-[4-[3,3,4,4,5,5-Hexafluoro-2-[2-methyl-5-(1-methylpyridin-1-ium-4-yl)thiophen-3-yl]cyclopenten-1-yl]-5-(4-methoxyphenyl)thiophen-2-yl]phenol
CID 101383679
3-phenyl-8-pyridin-2-yl-2H-1,3-benzoxazin-3-ium;3-phenyl-8-pyridin-4-yl-2H-1,3-benzoxazin-3-ium;3-phenyl-8-thiophen-2-yl-2H-1,3-benzoxazin-3-ium
CID 91289731
4-[4-Methoxy-3-[5-[5-[2-methoxy-5-(1-methylpyridin-1-ium-4-yl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]-1-methylpyridin-1-ium
CID 118118014
1-Heptyl-4-[3-[10-[3-(1-heptylpyridin-1-ium-4-yl)-6-methoxy-2-methylphenyl]-5,9-diphenyl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-4-methoxy-2-methylphenyl]pyridin-1-ium
CID 118118026
2-[18-[1-[18-[1-[14,22-Bis(4-methoxyphenyl)-18-methyl-9-hexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaenyl]-2-methylpropan-2-yl]-14,22-dithiophen-2-yl-9-hexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaenyl]-2-methylpropan-2-yl]-14-pyridin-2-yl-22-hexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaenyl]pyridine
CID 156035191
4-[2-[4-[2-(4-Hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]-2-methyl-6-(1-naphthalen-1-ylethyl)phenol;4-[2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]-2-methyl-6-(1-phenylethyl)phenol;4-[2-[3-[2-[4-hydroxy-3-(1-pyridin-4-ylethyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol;4-[2-[3-[2-[4-hydroxy-3-(1-thiophen-3-ylethyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol;molecular fluorine;hydrofluoride
CID 157567917
N-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-N-(6-methoxy-3-pyridinyl)thiophene-2-sulfonamide;N-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-N-pyridin-3-ylthiophene-2-sulfonamide
CID 157609525
3-Ethyl-1-(3-propoxyphenyl)pentan-3-ol;bis(1-[2-(3-propoxyphenyl)ethyl]cyclohexan-1-ol);4-[2-(3-propoxyphenyl)ethyl]heptan-4-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;3-[2-(3-propoxyphenyl)ethyl]pyridine;2-[2-(3-propoxyphenyl)ethyl]thiophene;6-(3-propoxyphenyl)hexan-1-ol
CID 157622783

Frequently Asked Questions

What is the IUPAC name of 2-[3-ethyl-2-hydroxy-5-[1-(4-methoxyphenyl)propyl]phenyl]-4-[1-(4-methoxyphenyl)ethyl]-6-methylphenol;2-[3-ethyl-2-hydroxy-5-(1-pyridin-4-ylpropyl)phenyl]-6-methyl-4-(1-pyridin-4-ylethyl)phenol;2-[3-ethyl-2-hydroxy-5-(1-thiophen-3-ylpropyl)phenyl]-6-methyl-4-(1-thiophen-3-ylethyl)phenol?
The IUPAC name of 2-[3-ethyl-2-hydroxy-5-[1-(4-methoxyphenyl)propyl]phenyl]-4-[1-(4-methoxyphenyl)ethyl]-6-methylphenol;2-[3-ethyl-2-hydroxy-5-(1-pyridin-4-ylpropyl)phenyl]-6-methyl-4-(1-pyridin-4-ylethyl)phenol;2-[3-ethyl-2-hydroxy-5-(1-thiophen-3-ylpropyl)phenyl]-6-methyl-4-(1-thiophen-3-ylethyl)phenol (CID 158263790) is 2-[3-ethyl-2-hydroxy-5-[1-(4-methoxyphenyl)propyl]phenyl]-4-[1-(4-methoxyphenyl)ethyl]-6-methylphenol;2-[3-ethyl-2-hydroxy-5-(1-pyridin-4-ylpropyl)phenyl]-6-methyl-4-(1-pyridin-4-ylethyl)phenol;2-[3-ethyl-2-hydroxy-5-(1-thiophen-3-ylpropyl)phenyl]-6-methyl-4-(1-thiophen-3-ylethyl)phenol.
What is the SMILES notation for 2-[3-ethyl-2-hydroxy-5-[1-(4-methoxyphenyl)propyl]phenyl]-4-[1-(4-methoxyphenyl)ethyl]-6-methylphenol;2-[3-ethyl-2-hydroxy-5-(1-pyridin-4-ylpropyl)phenyl]-6-methyl-4-(1-pyridin-4-ylethyl)phenol;2-[3-ethyl-2-hydroxy-5-(1-thiophen-3-ylpropyl)phenyl]-6-methyl-4-(1-thiophen-3-ylethyl)phenol?
The canonical SMILES for 2-[3-ethyl-2-hydroxy-5-[1-(4-methoxyphenyl)propyl]phenyl]-4-[1-(4-methoxyphenyl)ethyl]-6-methylphenol;2-[3-ethyl-2-hydroxy-5-(1-pyridin-4-ylpropyl)phenyl]-6-methyl-4-(1-pyridin-4-ylethyl)phenol;2-[3-ethyl-2-hydroxy-5-(1-thiophen-3-ylpropyl)phenyl]-6-methyl-4-(1-thiophen-3-ylethyl)phenol is CCc1cc(C(CC)c2ccc(OC)cc2)cc(-c2cc(C(C)c3ccc(OC)cc3)cc(C)c2O)c1O.CCc1cc(C(CC)c2ccncc2)cc(-c2cc(C(C)c3ccncc3)cc(C)c2O)c1O.CCc1cc(C(CC)c2ccsc2)cc(-c2cc(C(C)c3ccsc3)cc(C)c2O)c1O.
What is the InChIKey of 2-[3-ethyl-2-hydroxy-5-[1-(4-methoxyphenyl)propyl]phenyl]-4-[1-(4-methoxyphenyl)ethyl]-6-methylphenol;2-[3-ethyl-2-hydroxy-5-(1-pyridin-4-ylpropyl)phenyl]-6-methyl-4-(1-pyridin-4-ylethyl)phenol;2-[3-ethyl-2-hydroxy-5-(1-thiophen-3-ylpropyl)phenyl]-6-methyl-4-(1-thiophen-3-ylethyl)phenol?
The InChIKey is GIEQKZHRPHWHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38O4.C30H32N2O2.C28H30O2S2/c1-7-23-18-27(30(8-2)25-11-15-29(38-6)16-12-25)20-32(34(23)36)31-19-26(17-21(3)33(31)35)22(4)24-9-13-28(37-5)14-10-24;1-5-21-16-25(26(6-2)23-9-13-32-14-10-23)18-28(30(21)34)27-17-24(15-19(3)29(27)33)20(4)22-7-11-31-12-8-22;1-5-19-12-23(24(6-2)21-8-10-32-16-21)14-26(28(19)30)25-13-22(11-17(3)27(25)29)18(4)20-7-9-31-15-20/h9-20,22,30,35-36H,7-8H2,1-6H3;7-18,20,26,33-34H,5-6H2,1-4H3;7-16,18,24,29-30H,5-6H2,1-4H3.
What are the key properties of 2-[3-ethyl-2-hydroxy-5-[1-(4-methoxyphenyl)propyl]phenyl]-4-[1-(4-methoxyphenyl)ethyl]-6-methylphenol;2-[3-ethyl-2-hydroxy-5-(1-pyridin-4-ylpropyl)phenyl]-6-methyl-4-(1-pyridin-4-ylethyl)phenol;2-[3-ethyl-2-hydroxy-5-(1-thiophen-3-ylpropyl)phenyl]-6-methyl-4-(1-thiophen-3-ylethyl)phenol?
2-[3-ethyl-2-hydroxy-5-[1-(4-methoxyphenyl)propyl]phenyl]-4-[1-(4-methoxyphenyl)ethyl]-6-methylphenol;2-[3-ethyl-2-hydroxy-5-(1-pyridin-4-ylpropyl)phenyl]-6-methyl-4-(1-pyridin-4-ylethyl)phenol;2-[3-ethyl-2-hydroxy-5-(1-thiophen-3-ylpropyl)phenyl]-6-methyl-4-(1-thiophen-3-ylethyl)phenol has a molecular weight of 1425.95 g/mol, XLogP of 23.92, 23 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethyl-2-hydroxy-5-[1-(4-methoxyphenyl)propyl]phenyl]-4-[1-(4-methoxyphenyl)ethyl]-6-methylphenol;2-[3-ethyl-2-hydroxy-5-(1-pyridin-4-ylpropyl)phenyl]-6-methyl-4-(1-pyridin-4-ylethyl)phenol;2-[3-ethyl-2-hydroxy-5-(1-thiophen-3-ylpropyl)phenyl]-6-methyl-4-(1-thiophen-3-ylethyl)phenol is sourced from PubChem (CID 158263790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).