adamantane;ethane;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol;4-[1-(4-hydroxyphenyl)-1-phenylethyl]phenol;bis(4-methylphenol)

C78H118O6 — CID 161210735

IUPACadamantane;ethane;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol;4-[1-(4-hydroxyphenyl)-1-phenylethyl]phenol;bis(4-methylphenol)
SMILESC1C2CC3CC1CC(C2)C3.CC.CC.CC.CC.CC.CC.CC.CC.CC(c1ccccc1)(c1ccc(O)cc1)c1ccc(O)cc1.Cc1ccc(O)cc1.Cc1ccc(O)cc1.Oc1ccc(C2(c3ccc(O)cc3)CCCCC2)cc1
InChIInChI=1S/C20H18O2.C18H20O2.C10H16.2C7H8O.8C2H6/c1-20(15-5-3-2-4-6-15,16-7-11-18(21)12-8-16)17-9-13-19(22)14-10-17;19-16-8-4-14(5-9-16)18(12-2-1-3-13-18)15-6-10-17(20)11-7-15;1-7-2-9-4-8(1)5-10(3-7)6-9;2*1-6-2-4-7(8)5-3-6;8*1-2/h2-14,21-22H,1H3;4-11,19-20H,1-3,12-13H2;7-10H,1-6H2;2*2-5,8H,1H3;8*1-2H3
InChIKeyUWESEKWRIJMING-UHFFFAOYSA-N
MW1151.80 g/mol
LogP23.24
Rot. Bonds5

About adamantane;ethane;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol;4-[1-(4-hydroxyphenyl)-1-phenylethyl]phenol;bis(4-methylphenol)

adamantane;ethane;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol;4-[1-(4-hydroxyphenyl)-1-phenylethyl]phenol;bis(4-methylphenol) (PubChem CID 161210735) has the molecular formula C78H118O6 and a molecular weight of 1151.80 g/mol. Its IUPAC name is adamantane;ethane;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol;4-[1-(4-hydroxyphenyl)-1-phenylethyl]phenol;bis(4-methylphenol).

Molecular Properties

Compound Nameadamantane;ethane;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol;4-[1-(4-hydroxyphenyl)-1-phenylethyl]phenol;bis(4-methylphenol)
PubChem CID161210735
Molecular FormulaC78H118O6
Molecular Weight1151.80 g/mol
Exact Mass1150.89
IUPAC Nameadamantane;ethane;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol;4-[1-(4-hydroxyphenyl)-1-phenylethyl]phenol;bis(4-methylphenol)
SMILESC1C2CC3CC1CC(C2)C3.CC.CC.CC.CC.CC.CC.CC.CC.CC(c1ccccc1)(c1ccc(O)cc1)c1ccc(O)cc1.Cc1ccc(O)cc1.Cc1ccc(O)cc1.Oc1ccc(C2(c3ccc(O)cc3)CCCCC2)cc1
InChIInChI=1S/C20H18O2.C18H20O2.C10H16.2C7H8O.8C2H6/c1-20(15-5-3-2-4-6-15,16-7-11-18(21)12-8-16)17-9-13-19(22)14-10-17;19-16-8-4-14(5-9-16)18(12-2-1-3-13-18)15-6-10-17(20)11-7-15;1-7-2-9-4-8(1)5-10(3-7)6-9;2*1-6-2-4-7(8)5-3-6;8*1-2/h2-14,21-22H,1H3;4-11,19-20H,1-3,12-13H2;7-10H,1-6H2;2*2-5,8H,1H3;8*1-2H3
InChIKeyUWESEKWRIJMING-UHFFFAOYSA-N
XLogP23.24
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001151.80
LogP ≤ 523.24
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

adamantane;benzene;1,1-diphenylcyclodecane;1,1-diphenylcyclododecane;1,1-diphenylethylbenzene;9,9-diphenylfluorene;ethane
CID 163641470
ethane;4-[1-(4-hydroxyphenyl)cyclotetradecyl]phenol
CID 144989464
4-[1-(4-hydroxyphenyl)cyclotridecyl]phenol
CID 59289752
ethane;1-methyl-4-[1-(4-methylphenyl)cyclopentyl]benzene
CID 123671518
4-[4-[4,4-bis(4-hydroxyphenyl)cyclohexyl]-1-(4-methylphenyl)cyclohexyl]phenol;4-[4-[2-[4,4-bis(4-hydroxyphenyl)cyclohexyl]propan-2-yl]-1-(4-methylphenyl)cyclohexyl]phenol;4-[1-(3-tert-butyl-4-hydroxyphenyl)cyclohexyl]-2-methylphenol;4-[1-(4-hydroxy-3-phenylphenyl)-1-phenylethyl]-2-phenylphenol;4-[2-[3-[2-(4-hydroxyphenyl)propan-2-yl]-5-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenol
CID 158273727
4-[1-(4-hydroxyphenyl)cyclohexyl]phenol;4-(4-hydroxyphenyl)phenol;sulfane
CID 67945027
ethane;methanol;(1-phenylcyclohexyl)benzene
CID 91580542
3,5-dimethylaniline;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol
CID 139063676
2-[4-[1-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[4-[1-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-1-phenylethyl]phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[4-[2-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]propan-2-yl]phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 159731583
ethane;4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline
CID 156728878
1,1-diphenylcyclotetradecane
CID 175822005
[4-[1-(4-hydroxyphenyl)-1-phenylethyl]phenyl]oxidanium
CID 144946665

Frequently Asked Questions

What is the IUPAC name of adamantane;ethane;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol;4-[1-(4-hydroxyphenyl)-1-phenylethyl]phenol;bis(4-methylphenol)?
The IUPAC name of adamantane;ethane;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol;4-[1-(4-hydroxyphenyl)-1-phenylethyl]phenol;bis(4-methylphenol) (CID 161210735) is adamantane;ethane;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol;4-[1-(4-hydroxyphenyl)-1-phenylethyl]phenol;bis(4-methylphenol).
What is the SMILES notation for adamantane;ethane;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol;4-[1-(4-hydroxyphenyl)-1-phenylethyl]phenol;bis(4-methylphenol)?
The canonical SMILES for adamantane;ethane;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol;4-[1-(4-hydroxyphenyl)-1-phenylethyl]phenol;bis(4-methylphenol) is C1C2CC3CC1CC(C2)C3.CC.CC.CC.CC.CC.CC.CC.CC.CC(c1ccccc1)(c1ccc(O)cc1)c1ccc(O)cc1.Cc1ccc(O)cc1.Cc1ccc(O)cc1.Oc1ccc(C2(c3ccc(O)cc3)CCCCC2)cc1.
What is the InChIKey of adamantane;ethane;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol;4-[1-(4-hydroxyphenyl)-1-phenylethyl]phenol;bis(4-methylphenol)?
The InChIKey is UWESEKWRIJMING-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O2.C18H20O2.C10H16.2C7H8O.8C2H6/c1-20(15-5-3-2-4-6-15,16-7-11-18(21)12-8-16)17-9-13-19(22)14-10-17;19-16-8-4-14(5-9-16)18(12-2-1-3-13-18)15-6-10-17(20)11-7-15;1-7-2-9-4-8(1)5-10(3-7)6-9;2*1-6-2-4-7(8)5-3-6;8*1-2/h2-14,21-22H,1H3;4-11,19-20H,1-3,12-13H2;7-10H,1-6H2;2*2-5,8H,1H3;8*1-2H3.
What are the key properties of adamantane;ethane;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol;4-[1-(4-hydroxyphenyl)-1-phenylethyl]phenol;bis(4-methylphenol)?
adamantane;ethane;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol;4-[1-(4-hydroxyphenyl)-1-phenylethyl]phenol;bis(4-methylphenol) has a molecular weight of 1151.80 g/mol, XLogP of 23.24, 5 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for adamantane;ethane;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol;4-[1-(4-hydroxyphenyl)-1-phenylethyl]phenol;bis(4-methylphenol) is sourced from PubChem (CID 161210735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).