4-[[4-[10-[4-[bis(4-tert-butylphenyl)-(4-hydroxyphenyl)methyl]phenoxy]decoxy]phenyl]-bis(4-tert-butylphenyl)methyl]phenol

C76H90O4 — CID 15189872

IUPAC4-[[4-[10-[4-[bis(4-tert-butylphenyl)-(4-hydroxyphenyl)methyl]phenoxy]decoxy]phenyl]-bis(4-tert-butylphenyl)methyl]phenol
SMILESCC(C)(C)c1ccc(C(c2ccc(O)cc2)(c2ccc(OCCCCCCCCCCOc3ccc(C(c4ccc(O)cc4)(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)cc3)cc2)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C76H90O4/c1-71(2,3)55-21-29-59(30-22-55)75(63-37-45-67(77)46-38-63,60-31-23-56(24-32-60)72(4,5)6)65-41-49-69(50-42-65)79-53-19-17-15-13-14-16-18-20-54-80-70-51-43-66(44-52-70)76(64-39-47-68(78)48-40-64,61-33-25-57(26-34-61)73(7,8)9)62-35-27-58(28-36-62)74(10,11)12/h21-52,77-78H,13-20,53-54H2,1-12H3
InChIKeyIDYONFVOBPRKDE-UHFFFAOYSA-N
MW1067.55 g/mol
LogP19.63
Rot. Bonds21

About 4-[[4-[10-[4-[bis(4-tert-butylphenyl)-(4-hydroxyphenyl)methyl]phenoxy]decoxy]phenyl]-bis(4-tert-butylphenyl)methyl]phenol

4-[[4-[10-[4-[bis(4-tert-butylphenyl)-(4-hydroxyphenyl)methyl]phenoxy]decoxy]phenyl]-bis(4-tert-butylphenyl)methyl]phenol (PubChem CID 15189872) has the molecular formula C76H90O4 and a molecular weight of 1067.55 g/mol. Its IUPAC name is 4-[[4-[10-[4-[bis(4-tert-butylphenyl)-(4-hydroxyphenyl)methyl]phenoxy]decoxy]phenyl]-bis(4-tert-butylphenyl)methyl]phenol.

Molecular Properties

Compound Name4-[[4-[10-[4-[bis(4-tert-butylphenyl)-(4-hydroxyphenyl)methyl]phenoxy]decoxy]phenyl]-bis(4-tert-butylphenyl)methyl]phenol
PubChem CID15189872
Molecular FormulaC76H90O4
Molecular Weight1067.55 g/mol
Exact Mass1066.68
IUPAC Name4-[[4-[10-[4-[bis(4-tert-butylphenyl)-(4-hydroxyphenyl)methyl]phenoxy]decoxy]phenyl]-bis(4-tert-butylphenyl)methyl]phenol
SMILESCC(C)(C)c1ccc(C(c2ccc(O)cc2)(c2ccc(OCCCCCCCCCCOc3ccc(C(c4ccc(O)cc4)(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)cc3)cc2)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C76H90O4/c1-71(2,3)55-21-29-59(30-22-55)75(63-37-45-67(77)46-38-63,60-31-23-56(24-32-60)72(4,5)6)65-41-49-69(50-42-65)79-53-19-17-15-13-14-16-18-20-54-80-70-51-43-66(44-52-70)76(64-39-47-68(78)48-40-64,61-33-25-57(26-34-61)73(7,8)9)62-35-27-58(28-36-62)74(10,11)12/h21-52,77-78H,13-20,53-54H2,1-12H3
InChIKeyIDYONFVOBPRKDE-UHFFFAOYSA-N
XLogP19.63
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001067.55
LogP ≤ 519.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

4-[(4-hexoxyphenyl)-(4-hydroxyphenyl)-phenylmethyl]phenol
CID 139680457
4-[5-(4-hydroxyphenoxy)pentoxy]phenol
CID 20548963
1-[bis(4-tert-butylphenyl)-[4-(6-iodohexoxy)phenyl]methyl]-4-tert-butylbenzene
CID 132534710
4-tert-butylphenol;pentoxybenzene
CID 161478542
1-(5-bromopentoxy)-4-tert-butylbenzene
CID 5186697
4-octadecoxyphenol
CID 22179059
5-[4-[bis(4-tert-butylphenyl)-(4-propan-2-ylphenyl)methyl]phenoxy]pentan-1-ol
CID 102215310
3-tert-butylphenol;4-tetradecoxyphenol
CID 70365154
4-[4-(4-tert-butylphenoxy)phenoxy]phenol
CID 143727417
4-(4-tert-butylphenoxy)-N-methylbutan-1-amine
CID 62454221
4-[(4-hexoxyphenyl)-(4-hydroxyphenyl)-naphthalen-1-ylmethyl]phenol
CID 139680448
1-heptoxy-4-[(4-heptoxyphenyl)-diphenylmethyl]benzene
CID 118498507

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[10-[4-[bis(4-tert-butylphenyl)-(4-hydroxyphenyl)methyl]phenoxy]decoxy]phenyl]-bis(4-tert-butylphenyl)methyl]phenol?
The IUPAC name of 4-[[4-[10-[4-[bis(4-tert-butylphenyl)-(4-hydroxyphenyl)methyl]phenoxy]decoxy]phenyl]-bis(4-tert-butylphenyl)methyl]phenol (CID 15189872) is 4-[[4-[10-[4-[bis(4-tert-butylphenyl)-(4-hydroxyphenyl)methyl]phenoxy]decoxy]phenyl]-bis(4-tert-butylphenyl)methyl]phenol.
What is the SMILES notation for 4-[[4-[10-[4-[bis(4-tert-butylphenyl)-(4-hydroxyphenyl)methyl]phenoxy]decoxy]phenyl]-bis(4-tert-butylphenyl)methyl]phenol?
The canonical SMILES for 4-[[4-[10-[4-[bis(4-tert-butylphenyl)-(4-hydroxyphenyl)methyl]phenoxy]decoxy]phenyl]-bis(4-tert-butylphenyl)methyl]phenol is CC(C)(C)c1ccc(C(c2ccc(O)cc2)(c2ccc(OCCCCCCCCCCOc3ccc(C(c4ccc(O)cc4)(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)cc3)cc2)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 4-[[4-[10-[4-[bis(4-tert-butylphenyl)-(4-hydroxyphenyl)methyl]phenoxy]decoxy]phenyl]-bis(4-tert-butylphenyl)methyl]phenol?
The InChIKey is IDYONFVOBPRKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H90O4/c1-71(2,3)55-21-29-59(30-22-55)75(63-37-45-67(77)46-38-63,60-31-23-56(24-32-60)72(4,5)6)65-41-49-69(50-42-65)79-53-19-17-15-13-14-16-18-20-54-80-70-51-43-66(44-52-70)76(64-39-47-68(78)48-40-64,61-33-25-57(26-34-61)73(7,8)9)62-35-27-58(28-36-62)74(10,11)12/h21-52,77-78H,13-20,53-54H2,1-12H3.
What are the key properties of 4-[[4-[10-[4-[bis(4-tert-butylphenyl)-(4-hydroxyphenyl)methyl]phenoxy]decoxy]phenyl]-bis(4-tert-butylphenyl)methyl]phenol?
4-[[4-[10-[4-[bis(4-tert-butylphenyl)-(4-hydroxyphenyl)methyl]phenoxy]decoxy]phenyl]-bis(4-tert-butylphenyl)methyl]phenol has a molecular weight of 1067.55 g/mol, XLogP of 19.63, 21 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[10-[4-[bis(4-tert-butylphenyl)-(4-hydroxyphenyl)methyl]phenoxy]decoxy]phenyl]-bis(4-tert-butylphenyl)methyl]phenol is sourced from PubChem (CID 15189872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).