4-[3,3-dimethyl-1-(4-methylphenyl)-2H-inden-1-yl]phenol;4-[2-(4-methylphenyl)-2-adamantyl]phenol;4-[9-(4-methylphenyl)fluoren-9-yl]phenol;4-[1-(4-methylphenyl)-1-phenylethyl]phenol;4-[8-(4-methylphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol;1,1,1',1',5-pentamethyl-3,3'-spirobi[2H-indene]-5'-ol

C139H142O6 — CID 161375785

IUPAC4-[3,3-dimethyl-1-(4-methylphenyl)-2H-inden-1-yl]phenol;4-[2-(4-methylphenyl)-2-adamantyl]phenol;4-[9-(4-methylphenyl)fluoren-9-yl]phenol;4-[1-(4-methylphenyl)-1-phenylethyl]phenol;4-[8-(4-methylphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol;1,1,1',1',5-pentamethyl-3,3'-spirobi[2H-indene]-5'-ol
SMILESCc1ccc(C(C)(c2ccccc2)c2ccc(O)cc2)cc1.Cc1ccc(C2(c3ccc(O)cc3)C3CC4CC(C3)CC2C4)cc1.Cc1ccc(C2(c3ccc(O)cc3)CC(C)(C)c3ccccc32)cc1.Cc1ccc(C2(c3ccc(O)cc3)CC3CC2C2CCCC32)cc1.Cc1ccc(C2(c3ccc(O)cc3)c3ccccc3-c3ccccc32)cc1.Cc1ccc2c(c1)C1(CC2(C)C)CC(C)(C)c2ccc(O)cc21
InChIInChI=1S/C26H20O.C24H24O.2C23H26O.C22H26O.C21H20O/c1-18-10-12-19(13-11-18)26(20-14-16-21(27)17-15-20)24-8-4-2-6-22(24)23-7-3-5-9-25(23)26;1-17-8-10-18(11-9-17)24(19-12-14-20(25)15-13-19)16-23(2,3)21-6-4-5-7-22(21)24;1-15-2-4-18(5-3-15)23(19-6-8-22(24)9-7-19)20-11-16-10-17(13-20)14-21(23)12-16;1-15-5-7-17(8-6-15)23(18-9-11-19(24)12-10-18)14-16-13-22(23)21-4-2-3-20(16)21;1-14-6-8-16-18(10-14)22(12-20(16,2)3)13-21(4,5)17-9-7-15(23)11-19(17)22;1-16-8-10-18(11-9-16)21(2,17-6-4-3-5-7-17)19-12-14-20(22)15-13-19/h2-17,27H,1H3;4-15,25H,16H2,1-3H3;2-9,16-17,20-21,24H,10-14H2,1H3;5-12,16,20-22,24H,2-4,13-14H2,1H3;6-11,23H,12-13H2,1-5H3;3-15,22H,1-2H3
InChIKeyVRBGKBOPVWPZHO-UHFFFAOYSA-N
MW1908.66 g/mol
LogP33.07
Rot. Bonds11

About 4-[3,3-dimethyl-1-(4-methylphenyl)-2H-inden-1-yl]phenol;4-[2-(4-methylphenyl)-2-adamantyl]phenol;4-[9-(4-methylphenyl)fluoren-9-yl]phenol;4-[1-(4-methylphenyl)-1-phenylethyl]phenol;4-[8-(4-methylphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol;1,1,1',1',5-pentamethyl-3,3'-spirobi[2H-indene]-5'-ol

4-[3,3-dimethyl-1-(4-methylphenyl)-2H-inden-1-yl]phenol;4-[2-(4-methylphenyl)-2-adamantyl]phenol;4-[9-(4-methylphenyl)fluoren-9-yl]phenol;4-[1-(4-methylphenyl)-1-phenylethyl]phenol;4-[8-(4-methylphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol;1,1,1',1',5-pentamethyl-3,3'-spirobi[2H-indene]-5'-ol (PubChem CID 161375785) has the molecular formula C139H142O6 and a molecular weight of 1908.66 g/mol. Its IUPAC name is 4-[3,3-dimethyl-1-(4-methylphenyl)-2H-inden-1-yl]phenol;4-[2-(4-methylphenyl)-2-adamantyl]phenol;4-[9-(4-methylphenyl)fluoren-9-yl]phenol;4-[1-(4-methylphenyl)-1-phenylethyl]phenol;4-[8-(4-methylphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol;1,1,1',1',5-pentamethyl-3,3'-spirobi[2H-indene]-5'-ol.

Molecular Properties

Compound Name4-[3,3-dimethyl-1-(4-methylphenyl)-2H-inden-1-yl]phenol;4-[2-(4-methylphenyl)-2-adamantyl]phenol;4-[9-(4-methylphenyl)fluoren-9-yl]phenol;4-[1-(4-methylphenyl)-1-phenylethyl]phenol;4-[8-(4-methylphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol;1,1,1',1',5-pentamethyl-3,3'-spirobi[2H-indene]-5'-ol
PubChem CID161375785
Molecular FormulaC139H142O6
Molecular Weight1908.66 g/mol
Exact Mass1907.08
IUPAC Name4-[3,3-dimethyl-1-(4-methylphenyl)-2H-inden-1-yl]phenol;4-[2-(4-methylphenyl)-2-adamantyl]phenol;4-[9-(4-methylphenyl)fluoren-9-yl]phenol;4-[1-(4-methylphenyl)-1-phenylethyl]phenol;4-[8-(4-methylphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol;1,1,1',1',5-pentamethyl-3,3'-spirobi[2H-indene]-5'-ol
SMILESCc1ccc(C(C)(c2ccccc2)c2ccc(O)cc2)cc1.Cc1ccc(C2(c3ccc(O)cc3)C3CC4CC(C3)CC2C4)cc1.Cc1ccc(C2(c3ccc(O)cc3)CC(C)(C)c3ccccc32)cc1.Cc1ccc(C2(c3ccc(O)cc3)CC3CC2C2CCCC32)cc1.Cc1ccc(C2(c3ccc(O)cc3)c3ccccc3-c3ccccc32)cc1.Cc1ccc2c(c1)C1(CC2(C)C)CC(C)(C)c2ccc(O)cc21
InChIInChI=1S/C26H20O.C24H24O.2C23H26O.C22H26O.C21H20O/c1-18-10-12-19(13-11-18)26(20-14-16-21(27)17-15-20)24-8-4-2-6-22(24)23-7-3-5-9-25(23)26;1-17-8-10-18(11-9-17)24(19-12-14-20(25)15-13-19)16-23(2,3)21-6-4-5-7-22(21)24;1-15-2-4-18(5-3-15)23(19-6-8-22(24)9-7-19)20-11-16-10-17(13-20)14-21(23)12-16;1-15-5-7-17(8-6-15)23(18-9-11-19(24)12-10-18)14-16-13-22(23)21-4-2-3-20(16)21;1-14-6-8-16-18(10-14)22(12-20(16,2)3)13-21(4,5)17-9-7-15(23)11-19(17)22;1-16-8-10-18(11-9-16)21(2,17-6-4-3-5-7-17)19-12-14-20(22)15-13-19/h2-17,27H,1H3;4-15,25H,16H2,1-3H3;2-9,16-17,20-21,24H,10-14H2,1H3;5-12,16,20-22,24H,2-4,13-14H2,1H3;6-11,23H,12-13H2,1-5H3;3-15,22H,1-2H3
InChIKeyVRBGKBOPVWPZHO-UHFFFAOYSA-N
XLogP33.07
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001908.66
LogP ≤ 533.07
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[3,3-dimethyl-1-(4-methylphenyl)-2H-inden-1-yl]phenol;4-[2-(4-methylphenyl)-2-adamantyl]phenol;4-[9-(4-methylphenyl)fluoren-9-yl]phenol;4-[1-(4-methylphenyl)-1-phenylethyl]phenol;4-[8-(4-methylphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol;1,1,1',1',5-pentamethyl-3,3'-spirobi[2H-indene]-5'-ol with MolForge

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Related Compounds

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CID 57400334
2,2'-((2-Hydroxy-5-methyl-m-phenylene)bis(hexahydro-4,7-methanoindanylene))bis(6-tert-butyl-p-cresol)
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CID 44570695
(8R,9S,13S,14S,17S)-17-[4-[(8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]butyl]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
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Frequently Asked Questions

What is the IUPAC name of 4-[3,3-dimethyl-1-(4-methylphenyl)-2H-inden-1-yl]phenol;4-[2-(4-methylphenyl)-2-adamantyl]phenol;4-[9-(4-methylphenyl)fluoren-9-yl]phenol;4-[1-(4-methylphenyl)-1-phenylethyl]phenol;4-[8-(4-methylphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol;1,1,1',1',5-pentamethyl-3,3'-spirobi[2H-indene]-5'-ol?
The IUPAC name of 4-[3,3-dimethyl-1-(4-methylphenyl)-2H-inden-1-yl]phenol;4-[2-(4-methylphenyl)-2-adamantyl]phenol;4-[9-(4-methylphenyl)fluoren-9-yl]phenol;4-[1-(4-methylphenyl)-1-phenylethyl]phenol;4-[8-(4-methylphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol;1,1,1',1',5-pentamethyl-3,3'-spirobi[2H-indene]-5'-ol (CID 161375785) is 4-[3,3-dimethyl-1-(4-methylphenyl)-2H-inden-1-yl]phenol;4-[2-(4-methylphenyl)-2-adamantyl]phenol;4-[9-(4-methylphenyl)fluoren-9-yl]phenol;4-[1-(4-methylphenyl)-1-phenylethyl]phenol;4-[8-(4-methylphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol;1,1,1',1',5-pentamethyl-3,3'-spirobi[2H-indene]-5'-ol.
What is the SMILES notation for 4-[3,3-dimethyl-1-(4-methylphenyl)-2H-inden-1-yl]phenol;4-[2-(4-methylphenyl)-2-adamantyl]phenol;4-[9-(4-methylphenyl)fluoren-9-yl]phenol;4-[1-(4-methylphenyl)-1-phenylethyl]phenol;4-[8-(4-methylphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol;1,1,1',1',5-pentamethyl-3,3'-spirobi[2H-indene]-5'-ol?
The canonical SMILES for 4-[3,3-dimethyl-1-(4-methylphenyl)-2H-inden-1-yl]phenol;4-[2-(4-methylphenyl)-2-adamantyl]phenol;4-[9-(4-methylphenyl)fluoren-9-yl]phenol;4-[1-(4-methylphenyl)-1-phenylethyl]phenol;4-[8-(4-methylphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol;1,1,1',1',5-pentamethyl-3,3'-spirobi[2H-indene]-5'-ol is Cc1ccc(C(C)(c2ccccc2)c2ccc(O)cc2)cc1.Cc1ccc(C2(c3ccc(O)cc3)C3CC4CC(C3)CC2C4)cc1.Cc1ccc(C2(c3ccc(O)cc3)CC(C)(C)c3ccccc32)cc1.Cc1ccc(C2(c3ccc(O)cc3)CC3CC2C2CCCC32)cc1.Cc1ccc(C2(c3ccc(O)cc3)c3ccccc3-c3ccccc32)cc1.Cc1ccc2c(c1)C1(CC2(C)C)CC(C)(C)c2ccc(O)cc21.
What is the InChIKey of 4-[3,3-dimethyl-1-(4-methylphenyl)-2H-inden-1-yl]phenol;4-[2-(4-methylphenyl)-2-adamantyl]phenol;4-[9-(4-methylphenyl)fluoren-9-yl]phenol;4-[1-(4-methylphenyl)-1-phenylethyl]phenol;4-[8-(4-methylphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol;1,1,1',1',5-pentamethyl-3,3'-spirobi[2H-indene]-5'-ol?
The InChIKey is VRBGKBOPVWPZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20O.C24H24O.2C23H26O.C22H26O.C21H20O/c1-18-10-12-19(13-11-18)26(20-14-16-21(27)17-15-20)24-8-4-2-6-22(24)23-7-3-5-9-25(23)26;1-17-8-10-18(11-9-17)24(19-12-14-20(25)15-13-19)16-23(2,3)21-6-4-5-7-22(21)24;1-15-2-4-18(5-3-15)23(19-6-8-22(24)9-7-19)20-11-16-10-17(13-20)14-21(23)12-16;1-15-5-7-17(8-6-15)23(18-9-11-19(24)12-10-18)14-16-13-22(23)21-4-2-3-20(16)21;1-14-6-8-16-18(10-14)22(12-20(16,2)3)13-21(4,5)17-9-7-15(23)11-19(17)22;1-16-8-10-18(11-9-16)21(2,17-6-4-3-5-7-17)19-12-14-20(22)15-13-19/h2-17,27H,1H3;4-15,25H,16H2,1-3H3;2-9,16-17,20-21,24H,10-14H2,1H3;5-12,16,20-22,24H,2-4,13-14H2,1H3;6-11,23H,12-13H2,1-5H3;3-15,22H,1-2H3.
What are the key properties of 4-[3,3-dimethyl-1-(4-methylphenyl)-2H-inden-1-yl]phenol;4-[2-(4-methylphenyl)-2-adamantyl]phenol;4-[9-(4-methylphenyl)fluoren-9-yl]phenol;4-[1-(4-methylphenyl)-1-phenylethyl]phenol;4-[8-(4-methylphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol;1,1,1',1',5-pentamethyl-3,3'-spirobi[2H-indene]-5'-ol?
4-[3,3-dimethyl-1-(4-methylphenyl)-2H-inden-1-yl]phenol;4-[2-(4-methylphenyl)-2-adamantyl]phenol;4-[9-(4-methylphenyl)fluoren-9-yl]phenol;4-[1-(4-methylphenyl)-1-phenylethyl]phenol;4-[8-(4-methylphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol;1,1,1',1',5-pentamethyl-3,3'-spirobi[2H-indene]-5'-ol has a molecular weight of 1908.66 g/mol, XLogP of 33.07, 11 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,3-dimethyl-1-(4-methylphenyl)-2H-inden-1-yl]phenol;4-[2-(4-methylphenyl)-2-adamantyl]phenol;4-[9-(4-methylphenyl)fluoren-9-yl]phenol;4-[1-(4-methylphenyl)-1-phenylethyl]phenol;4-[8-(4-methylphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol;1,1,1',1',5-pentamethyl-3,3'-spirobi[2H-indene]-5'-ol is sourced from PubChem (CID 161375785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).