2,4-di(cycloheptyl)-6-phenylphenol;2,4-dicyclohexyl-6-phenylphenol;2,4-di(cyclooctyl)-6-phenylphenol;2,4-dicyclopentyl-6-phenylphenol

C100H128O4 — CID 158976886

IUPAC2,4-di(cycloheptyl)-6-phenylphenol;2,4-dicyclohexyl-6-phenylphenol;2,4-di(cyclooctyl)-6-phenylphenol;2,4-dicyclopentyl-6-phenylphenol
SMILESOc1c(-c2ccccc2)cc(C2CCCC2)cc1C1CCCC1.Oc1c(-c2ccccc2)cc(C2CCCCC2)cc1C1CCCCC1.Oc1c(-c2ccccc2)cc(C2CCCCCC2)cc1C1CCCCCC1.Oc1c(-c2ccccc2)cc(C2CCCCCCC2)cc1C1CCCCCCC1
InChIInChI=1S/C28H38O.C26H34O.C24H30O.C22H26O/c29-28-26(23-16-10-5-2-6-11-17-23)20-25(22-14-8-3-1-4-9-15-22)21-27(28)24-18-12-7-13-19-24;27-26-24(21-14-8-3-4-9-15-21)18-23(20-12-6-1-2-7-13-20)19-25(26)22-16-10-5-11-17-22;25-24-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(24)20-14-8-3-9-15-20;23-22-20(17-10-2-1-3-11-17)14-19(16-8-4-5-9-16)15-21(22)18-12-6-7-13-18/h7,12-13,18-23,29H,1-6,8-11,14-17H2;5,10-11,16-21,27H,1-4,6-9,12-15H2;2,6-7,12-13,16-18,20,25H,1,3-5,8-11,14-15H2;1-3,10-11,14-16,18,23H,4-9,12-13H2
InChIKeyJOMSGLKSRRIICO-UHFFFAOYSA-N
MW1394.12 g/mol
LogP30.18
Rot. Bonds12

About 2,4-di(cycloheptyl)-6-phenylphenol;2,4-dicyclohexyl-6-phenylphenol;2,4-di(cyclooctyl)-6-phenylphenol;2,4-dicyclopentyl-6-phenylphenol

2,4-di(cycloheptyl)-6-phenylphenol;2,4-dicyclohexyl-6-phenylphenol;2,4-di(cyclooctyl)-6-phenylphenol;2,4-dicyclopentyl-6-phenylphenol (PubChem CID 158976886) has the molecular formula C100H128O4 and a molecular weight of 1394.12 g/mol. Its IUPAC name is 2,4-di(cycloheptyl)-6-phenylphenol;2,4-dicyclohexyl-6-phenylphenol;2,4-di(cyclooctyl)-6-phenylphenol;2,4-dicyclopentyl-6-phenylphenol.

Molecular Properties

Compound Name2,4-di(cycloheptyl)-6-phenylphenol;2,4-dicyclohexyl-6-phenylphenol;2,4-di(cyclooctyl)-6-phenylphenol;2,4-dicyclopentyl-6-phenylphenol
PubChem CID158976886
Molecular FormulaC100H128O4
Molecular Weight1394.12 g/mol
Exact Mass1392.98
IUPAC Name2,4-di(cycloheptyl)-6-phenylphenol;2,4-dicyclohexyl-6-phenylphenol;2,4-di(cyclooctyl)-6-phenylphenol;2,4-dicyclopentyl-6-phenylphenol
SMILESOc1c(-c2ccccc2)cc(C2CCCC2)cc1C1CCCC1.Oc1c(-c2ccccc2)cc(C2CCCCC2)cc1C1CCCCC1.Oc1c(-c2ccccc2)cc(C2CCCCCC2)cc1C1CCCCCC1.Oc1c(-c2ccccc2)cc(C2CCCCCCC2)cc1C1CCCCCCC1
InChIInChI=1S/C28H38O.C26H34O.C24H30O.C22H26O/c29-28-26(23-16-10-5-2-6-11-17-23)20-25(22-14-8-3-1-4-9-15-22)21-27(28)24-18-12-7-13-19-24;27-26-24(21-14-8-3-4-9-15-21)18-23(20-12-6-1-2-7-13-20)19-25(26)22-16-10-5-11-17-22;25-24-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(24)20-14-8-3-9-15-20;23-22-20(17-10-2-1-3-11-17)14-19(16-8-4-5-9-16)15-21(22)18-12-6-7-13-18/h7,12-13,18-23,29H,1-6,8-11,14-17H2;5,10-11,16-21,27H,1-4,6-9,12-15H2;2,6-7,12-13,16-18,20,25H,1,3-5,8-11,14-15H2;1-3,10-11,14-16,18,23H,4-9,12-13H2
InChIKeyJOMSGLKSRRIICO-UHFFFAOYSA-N
XLogP30.18
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001394.12
LogP ≤ 530.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2,4-di(cycloheptyl)-6-phenylphenol;2,4-dicyclohexyl-6-phenylphenol;2,4-di(cyclooctyl)-6-phenylphenol;2,4-dicyclopentyl-6-phenylphenol with MolForge

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Related Compounds

4-chloro-2-cyclododecyl-6-phenylphenol
CID 157022495
4-bromo-2-cyclopentyl-6-phenylphenol
CID 157022496
ethane;hydrogen peroxide;2,4,6-tricyclohexylphenol
CID 145222874
2-(2-bicyclo[2.2.1]heptanyl)-4-cyclohexyl-6-phenylphenol;4-(2-bicyclo[2.2.1]heptanyl)-2-cyclohexyl-6-phenylphenol;2-cyclohexyl-4-cyclooctyl-6-phenylphenol;4-cyclohexyl-2-cyclooctyl-6-phenylphenol;2-phenyl-4,6-bis(4-tricyclo[6.2.1.02,7]undecanyl)phenol
CID 158689824
2-amino-4,6-dicyclohexylphenol
CID 139812455
2-amino-4,6-dicyclohexylphenol;hydrochloride
CID 139812454
1,1'-biphenyl;cyclohexylbenzene
CID 141106050
2-cyclopentyl-1,4-diphenylnaphthalene
CID 15981874
4-cyclohexyl-2,6-diphenylpyridine
CID 13415243
cyclohexylbenzene;hydrogen peroxide;hydrate
CID 174910153
1,3-dicyclohexylbenzene;hydrogen peroxide
CID 88772360
1-cyclobutyl-2-phenylbenzene
CID 23453799

Frequently Asked Questions

What is the IUPAC name of 2,4-di(cycloheptyl)-6-phenylphenol;2,4-dicyclohexyl-6-phenylphenol;2,4-di(cyclooctyl)-6-phenylphenol;2,4-dicyclopentyl-6-phenylphenol?
The IUPAC name of 2,4-di(cycloheptyl)-6-phenylphenol;2,4-dicyclohexyl-6-phenylphenol;2,4-di(cyclooctyl)-6-phenylphenol;2,4-dicyclopentyl-6-phenylphenol (CID 158976886) is 2,4-di(cycloheptyl)-6-phenylphenol;2,4-dicyclohexyl-6-phenylphenol;2,4-di(cyclooctyl)-6-phenylphenol;2,4-dicyclopentyl-6-phenylphenol.
What is the SMILES notation for 2,4-di(cycloheptyl)-6-phenylphenol;2,4-dicyclohexyl-6-phenylphenol;2,4-di(cyclooctyl)-6-phenylphenol;2,4-dicyclopentyl-6-phenylphenol?
The canonical SMILES for 2,4-di(cycloheptyl)-6-phenylphenol;2,4-dicyclohexyl-6-phenylphenol;2,4-di(cyclooctyl)-6-phenylphenol;2,4-dicyclopentyl-6-phenylphenol is Oc1c(-c2ccccc2)cc(C2CCCC2)cc1C1CCCC1.Oc1c(-c2ccccc2)cc(C2CCCCC2)cc1C1CCCCC1.Oc1c(-c2ccccc2)cc(C2CCCCCC2)cc1C1CCCCCC1.Oc1c(-c2ccccc2)cc(C2CCCCCCC2)cc1C1CCCCCCC1.
What is the InChIKey of 2,4-di(cycloheptyl)-6-phenylphenol;2,4-dicyclohexyl-6-phenylphenol;2,4-di(cyclooctyl)-6-phenylphenol;2,4-dicyclopentyl-6-phenylphenol?
The InChIKey is JOMSGLKSRRIICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38O.C26H34O.C24H30O.C22H26O/c29-28-26(23-16-10-5-2-6-11-17-23)20-25(22-14-8-3-1-4-9-15-22)21-27(28)24-18-12-7-13-19-24;27-26-24(21-14-8-3-4-9-15-21)18-23(20-12-6-1-2-7-13-20)19-25(26)22-16-10-5-11-17-22;25-24-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(24)20-14-8-3-9-15-20;23-22-20(17-10-2-1-3-11-17)14-19(16-8-4-5-9-16)15-21(22)18-12-6-7-13-18/h7,12-13,18-23,29H,1-6,8-11,14-17H2;5,10-11,16-21,27H,1-4,6-9,12-15H2;2,6-7,12-13,16-18,20,25H,1,3-5,8-11,14-15H2;1-3,10-11,14-16,18,23H,4-9,12-13H2.
What are the key properties of 2,4-di(cycloheptyl)-6-phenylphenol;2,4-dicyclohexyl-6-phenylphenol;2,4-di(cyclooctyl)-6-phenylphenol;2,4-dicyclopentyl-6-phenylphenol?
2,4-di(cycloheptyl)-6-phenylphenol;2,4-dicyclohexyl-6-phenylphenol;2,4-di(cyclooctyl)-6-phenylphenol;2,4-dicyclopentyl-6-phenylphenol has a molecular weight of 1394.12 g/mol, XLogP of 30.18, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(cycloheptyl)-6-phenylphenol;2,4-dicyclohexyl-6-phenylphenol;2,4-di(cyclooctyl)-6-phenylphenol;2,4-dicyclopentyl-6-phenylphenol is sourced from PubChem (CID 158976886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).