4-[3,3-bis(3-tert-butyl-4-hydroxyphenyl)butyl]-2,6-ditert-butylphenol;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol

C56H74O5 — CID 88759693

IUPAC4-[3,3-bis(3-tert-butyl-4-hydroxyphenyl)butyl]-2,6-ditert-butylphenol;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol
SMILESCC(C)(C)c1cc(C(C)(CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2ccc(O)c(C(C)(C)C)c2)ccc1O.Oc1ccc(C2(c3ccc(O)cc3)CCCCC2)cc1
InChIInChI=1S/C38H54O3.C18H20O2/c1-34(2,3)27-22-25(14-16-31(27)39)38(13,26-15-17-32(40)28(23-26)35(4,5)6)19-18-24-20-29(36(7,8)9)33(41)30(21-24)37(10,11)12;19-16-8-4-14(5-9-16)18(12-2-1-3-13-18)15-6-10-17(20)11-7-15/h14-17,20-23,39-41H,18-19H2,1-13H3;4-11,19-20H,1-3,12-13H2
InChIKeyHCUFMTTVPDIDLP-UHFFFAOYSA-N
MW827.20 g/mol
LogP14.28
Rot. Bonds7

About 4-[3,3-bis(3-tert-butyl-4-hydroxyphenyl)butyl]-2,6-ditert-butylphenol;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol

4-[3,3-bis(3-tert-butyl-4-hydroxyphenyl)butyl]-2,6-ditert-butylphenol;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol (PubChem CID 88759693) has the molecular formula C56H74O5 and a molecular weight of 827.20 g/mol. Its IUPAC name is 4-[3,3-bis(3-tert-butyl-4-hydroxyphenyl)butyl]-2,6-ditert-butylphenol;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol.

Molecular Properties

Compound Name4-[3,3-bis(3-tert-butyl-4-hydroxyphenyl)butyl]-2,6-ditert-butylphenol;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol
PubChem CID88759693
Molecular FormulaC56H74O5
Molecular Weight827.20 g/mol
Exact Mass826.55
IUPAC Name4-[3,3-bis(3-tert-butyl-4-hydroxyphenyl)butyl]-2,6-ditert-butylphenol;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol
SMILESCC(C)(C)c1cc(C(C)(CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2ccc(O)c(C(C)(C)C)c2)ccc1O.Oc1ccc(C2(c3ccc(O)cc3)CCCCC2)cc1
InChIInChI=1S/C38H54O3.C18H20O2/c1-34(2,3)27-22-25(14-16-31(27)39)38(13,26-15-17-32(40)28(23-26)35(4,5)6)19-18-24-20-29(36(7,8)9)33(41)30(21-24)37(10,11)12;19-16-8-4-14(5-9-16)18(12-2-1-3-13-18)15-6-10-17(20)11-7-15/h14-17,20-23,39-41H,18-19H2,1-13H3;4-11,19-20H,1-3,12-13H2
InChIKeyHCUFMTTVPDIDLP-UHFFFAOYSA-N
XLogP14.28
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500827.20
LogP ≤ 514.28
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butyl-4-[1-(3-tert-butyl-4-hydroxyphenyl)cycloheptyl]phenol
CID 139824515
2-tert-butyl-4-[1-(3-tert-butyl-4-hydroxyphenyl)cyclohexyl]phenol;carbonic acid
CID 88613916
4-[1-(3-tert-butyl-4-hydroxyphenyl)cyclohexyl]benzene-1,3-diol
CID 139833112
ethane;4-[1-(4-hydroxyphenyl)cyclotetradecyl]phenol
CID 144989464
4-[1-(4-hydroxyphenyl)cyclotridecyl]phenol
CID 59289752
2-tert-butyl-4-[1-(3-tert-butyl-4-hydroxyphenyl)cyclohexyl]phenol;4-[1-(4-hydroxy-3-phenylphenyl)cyclohexyl]-2-phenylphenol
CID 18538283
2,6-ditert-butyl-4-(3-hydroxy-3-methylbutyl)phenol
CID 3430761
4-[1-(4-hydroxy-3,5-dimethylphenyl)cyclohexyl]-2,6-dimethylphenol;4-[1-(4-hydroxy-3-methylphenyl)cyclohexyl]-2-methylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol
CID 159439965
4-[1-(4-hydroxyphenyl)cyclohexyl]phenol;4-(4-hydroxyphenyl)phenol;sulfane
CID 67945027
4-butyl-2,6-ditert-butylphenol;2-tert-butyl-4-dodecylphenol
CID 22360099
4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]benzene-1,2-diol
CID 5239155
4-[2-(4-hydroxyphenyl)-4-phenylbutan-2-yl]phenol
CID 14250443

Frequently Asked Questions

What is the IUPAC name of 4-[3,3-bis(3-tert-butyl-4-hydroxyphenyl)butyl]-2,6-ditert-butylphenol;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol?
The IUPAC name of 4-[3,3-bis(3-tert-butyl-4-hydroxyphenyl)butyl]-2,6-ditert-butylphenol;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol (CID 88759693) is 4-[3,3-bis(3-tert-butyl-4-hydroxyphenyl)butyl]-2,6-ditert-butylphenol;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol.
What is the SMILES notation for 4-[3,3-bis(3-tert-butyl-4-hydroxyphenyl)butyl]-2,6-ditert-butylphenol;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol?
The canonical SMILES for 4-[3,3-bis(3-tert-butyl-4-hydroxyphenyl)butyl]-2,6-ditert-butylphenol;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol is CC(C)(C)c1cc(C(C)(CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2ccc(O)c(C(C)(C)C)c2)ccc1O.Oc1ccc(C2(c3ccc(O)cc3)CCCCC2)cc1.
What is the InChIKey of 4-[3,3-bis(3-tert-butyl-4-hydroxyphenyl)butyl]-2,6-ditert-butylphenol;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol?
The InChIKey is HCUFMTTVPDIDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H54O3.C18H20O2/c1-34(2,3)27-22-25(14-16-31(27)39)38(13,26-15-17-32(40)28(23-26)35(4,5)6)19-18-24-20-29(36(7,8)9)33(41)30(21-24)37(10,11)12;19-16-8-4-14(5-9-16)18(12-2-1-3-13-18)15-6-10-17(20)11-7-15/h14-17,20-23,39-41H,18-19H2,1-13H3;4-11,19-20H,1-3,12-13H2.
What are the key properties of 4-[3,3-bis(3-tert-butyl-4-hydroxyphenyl)butyl]-2,6-ditert-butylphenol;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol?
4-[3,3-bis(3-tert-butyl-4-hydroxyphenyl)butyl]-2,6-ditert-butylphenol;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol has a molecular weight of 827.20 g/mol, XLogP of 14.28, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,3-bis(3-tert-butyl-4-hydroxyphenyl)butyl]-2,6-ditert-butylphenol;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol is sourced from PubChem (CID 88759693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).