3-methyl-4-[2-[4-[tris[4-[2-(4-hydroxy-2-methylphenyl)propan-2-yl]phenoxy]methoxy]phenyl]propan-2-yl]phenol

C65H68O8 — CID 153325038

IUPAC3-methyl-4-[2-[4-[tris[4-[2-(4-hydroxy-2-methylphenyl)propan-2-yl]phenoxy]methoxy]phenyl]propan-2-yl]phenol
SMILESCc1cc(O)ccc1C(C)(C)c1ccc(OC(Oc2ccc(C(C)(C)c3ccc(O)cc3C)cc2)(Oc2ccc(C(C)(C)c3ccc(O)cc3C)cc2)Oc2ccc(C(C)(C)c3ccc(O)cc3C)cc2)cc1
InChIInChI=1S/C65H68O8/c1-41-37-49(66)21-33-57(41)61(5,6)45-13-25-53(26-14-45)70-65(71-54-27-15-46(16-28-54)62(7,8)58-34-22-50(67)38-42(58)2,72-55-29-17-47(18-30-55)63(9,10)59-35-23-51(68)39-43(59)3)73-56-31-19-48(20-32-56)64(11,12)60-36-24-52(69)40-44(60)4/h13-40,66-69H,1-12H3
InChIKeyFLQOTCMYQUKLGS-UHFFFAOYSA-N
MW977.25 g/mol
LogP15.27
Rot. Bonds16

About 3-methyl-4-[2-[4-[tris[4-[2-(4-hydroxy-2-methylphenyl)propan-2-yl]phenoxy]methoxy]phenyl]propan-2-yl]phenol

3-methyl-4-[2-[4-[tris[4-[2-(4-hydroxy-2-methylphenyl)propan-2-yl]phenoxy]methoxy]phenyl]propan-2-yl]phenol (PubChem CID 153325038) has the molecular formula C65H68O8 and a molecular weight of 977.25 g/mol. Its IUPAC name is 3-methyl-4-[2-[4-[tris[4-[2-(4-hydroxy-2-methylphenyl)propan-2-yl]phenoxy]methoxy]phenyl]propan-2-yl]phenol.

Molecular Properties

Compound Name3-methyl-4-[2-[4-[tris[4-[2-(4-hydroxy-2-methylphenyl)propan-2-yl]phenoxy]methoxy]phenyl]propan-2-yl]phenol
PubChem CID153325038
Molecular FormulaC65H68O8
Molecular Weight977.25 g/mol
Exact Mass976.49
IUPAC Name3-methyl-4-[2-[4-[tris[4-[2-(4-hydroxy-2-methylphenyl)propan-2-yl]phenoxy]methoxy]phenyl]propan-2-yl]phenol
SMILESCc1cc(O)ccc1C(C)(C)c1ccc(OC(Oc2ccc(C(C)(C)c3ccc(O)cc3C)cc2)(Oc2ccc(C(C)(C)c3ccc(O)cc3C)cc2)Oc2ccc(C(C)(C)c3ccc(O)cc3C)cc2)cc1
InChIInChI=1S/C65H68O8/c1-41-37-49(66)21-33-57(41)61(5,6)45-13-25-53(26-14-45)70-65(71-54-27-15-46(16-28-54)62(7,8)58-34-22-50(67)38-42(58)2,72-55-29-17-47(18-30-55)63(9,10)59-35-23-51(68)39-43(59)3)73-56-31-19-48(20-32-56)64(11,12)60-36-24-52(69)40-44(60)4/h13-40,66-69H,1-12H3
InChIKeyFLQOTCMYQUKLGS-UHFFFAOYSA-N
XLogP15.27
TPSA117.84 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500977.25
LogP ≤ 515.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-methyl-4-[2-[4-[tris[4-[2-(4-hydroxy-2-methylphenyl)propan-2-yl]phenoxy]methoxy]phenyl]propan-2-yl]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

3-methyl-4-[tris(4-hydroxy-2-methylphenyl)methyl]phenol
CID 153325022
4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]benzene-1,3-diol
CID 139838635
4-[2-[4-[2-[4-hydroxy-2-(4-hydroxyphenyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-3-(4-hydroxyphenyl)phenol
CID 159532417
4-(1-chloro-2-methylpropan-2-yl)-3-methylphenol
CID 68553693
4-[2-[4-[2-(4-hydroxyphenyl)(1,3-13C2)propan-2-yl]phenyl](1,3-13C2)propan-2-yl]phenol
CID 139024042
1-N,4-N-bis[4-[2-(4-hydroxyphenyl)propan-2-yl]-2,5-dimethylphenyl]benzene-1,4-dicarboxamide
CID 70523417
4-[1-phenyl-2-[4-[tris[4-[2-(4-hydroxyphenyl)-1-phenylpropan-2-yl]phenoxy]methoxy]phenyl]propan-2-yl]phenol
CID 139642251
4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;4-[2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol
CID 130296994
4-[2-(4-hydroxyphenyl)propan-2-yl]-2-methylphenol
CID 14389009
4-[4-[2-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]phenol
CID 58792408
2-[2-(4-hydroxyphenyl)propan-2-yl]-6-methylphenol
CID 121304104
4-[(2-methylpropan-2-yl)oxy]phenol
CID 2773621

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[2-[4-[tris[4-[2-(4-hydroxy-2-methylphenyl)propan-2-yl]phenoxy]methoxy]phenyl]propan-2-yl]phenol?
The IUPAC name of 3-methyl-4-[2-[4-[tris[4-[2-(4-hydroxy-2-methylphenyl)propan-2-yl]phenoxy]methoxy]phenyl]propan-2-yl]phenol (CID 153325038) is 3-methyl-4-[2-[4-[tris[4-[2-(4-hydroxy-2-methylphenyl)propan-2-yl]phenoxy]methoxy]phenyl]propan-2-yl]phenol.
What is the SMILES notation for 3-methyl-4-[2-[4-[tris[4-[2-(4-hydroxy-2-methylphenyl)propan-2-yl]phenoxy]methoxy]phenyl]propan-2-yl]phenol?
The canonical SMILES for 3-methyl-4-[2-[4-[tris[4-[2-(4-hydroxy-2-methylphenyl)propan-2-yl]phenoxy]methoxy]phenyl]propan-2-yl]phenol is Cc1cc(O)ccc1C(C)(C)c1ccc(OC(Oc2ccc(C(C)(C)c3ccc(O)cc3C)cc2)(Oc2ccc(C(C)(C)c3ccc(O)cc3C)cc2)Oc2ccc(C(C)(C)c3ccc(O)cc3C)cc2)cc1.
What is the InChIKey of 3-methyl-4-[2-[4-[tris[4-[2-(4-hydroxy-2-methylphenyl)propan-2-yl]phenoxy]methoxy]phenyl]propan-2-yl]phenol?
The InChIKey is FLQOTCMYQUKLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H68O8/c1-41-37-49(66)21-33-57(41)61(5,6)45-13-25-53(26-14-45)70-65(71-54-27-15-46(16-28-54)62(7,8)58-34-22-50(67)38-42(58)2,72-55-29-17-47(18-30-55)63(9,10)59-35-23-51(68)39-43(59)3)73-56-31-19-48(20-32-56)64(11,12)60-36-24-52(69)40-44(60)4/h13-40,66-69H,1-12H3.
What are the key properties of 3-methyl-4-[2-[4-[tris[4-[2-(4-hydroxy-2-methylphenyl)propan-2-yl]phenoxy]methoxy]phenyl]propan-2-yl]phenol?
3-methyl-4-[2-[4-[tris[4-[2-(4-hydroxy-2-methylphenyl)propan-2-yl]phenoxy]methoxy]phenyl]propan-2-yl]phenol has a molecular weight of 977.25 g/mol, XLogP of 15.27, 16 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[2-[4-[tris[4-[2-(4-hydroxy-2-methylphenyl)propan-2-yl]phenoxy]methoxy]phenyl]propan-2-yl]phenol is sourced from PubChem (CID 153325038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).