3-(4-hydroxy-3,5-dimethylphenyl)-1,1,3,6-tetramethyl-2H-inden-5-ol

C21H26O2 — CID 139669315

IUPAC3-(4-hydroxy-3,5-dimethylphenyl)-1,1,3,6-tetramethyl-2H-inden-5-ol
SMILESCc1cc2c(cc1O)C(C)(c1cc(C)c(O)c(C)c1)CC2(C)C
InChIInChI=1S/C21H26O2/c1-12-9-16-17(10-18(12)22)21(6,11-20(16,4)5)15-7-13(2)19(23)14(3)8-15/h7-10,22-23H,11H2,1-6H3
InChIKeyXEFBFOVZEDKBBW-UHFFFAOYSA-N
MW310.44 g/mol
LogP5.01
Rot. Bonds1

About 3-(4-hydroxy-3,5-dimethylphenyl)-1,1,3,6-tetramethyl-2H-inden-5-ol

3-(4-hydroxy-3,5-dimethylphenyl)-1,1,3,6-tetramethyl-2H-inden-5-ol (PubChem CID 139669315) has the molecular formula C21H26O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 3-(4-hydroxy-3,5-dimethylphenyl)-1,1,3,6-tetramethyl-2H-inden-5-ol.

Molecular Properties

Compound Name3-(4-hydroxy-3,5-dimethylphenyl)-1,1,3,6-tetramethyl-2H-inden-5-ol
PubChem CID139669315
Molecular FormulaC21H26O2
Molecular Weight310.44 g/mol
Exact Mass310.19
IUPAC Name3-(4-hydroxy-3,5-dimethylphenyl)-1,1,3,6-tetramethyl-2H-inden-5-ol
SMILESCc1cc2c(cc1O)C(C)(c1cc(C)c(O)c(C)c1)CC2(C)C
InChIInChI=1S/C21H26O2/c1-12-9-16-17(10-18(12)22)21(6,11-20(16,4)5)15-7-13(2)19(23)14(3)8-15/h7-10,22-23H,11H2,1-6H3
InChIKeyXEFBFOVZEDKBBW-UHFFFAOYSA-N
XLogP5.01
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.44
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[5-(2-hydroxyphenyl)-1,3,3,4,6-pentamethyl-2H-inden-1-yl]-2,6-dimethylphenol
CID 174721498
(5S,8R)-5,8-bis(4-hydroxy-3-methylphenyl)-3,5,8-trimethyl-6,7-dihydronaphthalen-2-ol
CID 70504514
1-(4-hydroxy-3-methylphenyl)-1,3,3,7-tetramethyl-2H-inden-5-ol
CID 139711675
6-(6-hydroxy-1,1,3,3-tetramethyl-2H-inden-5-yl)-1,1,3,3-tetramethyl-2H-inden-5-ol
CID 70523762
1,1,3-trimethyl-3-(4-methylphenyl)-2H-inden-5-ol
CID 59962334
6-tert-butyl-3-(3-hydroxyphenyl)-1,1,3-trimethyl-2H-inden-5-ol
CID 139711661
1-(4-hydroxy-3-nitrophenyl)-1,3,3-trimethyl-6-nitro-2H-inden-5-ol
CID 137364035
2,2,4,4,6-pentamethyl-3H-chromene-7,8-diol
CID 23379904
6-butoxy-3-(4-hydroxyphenyl)-1,1,3-trimethyl-2H-inden-5-ol
CID 139711635
5,5'-dihydroxy-1,1,1',1',6,6'-hexamethyl-3,3'-spirobi[2H-indene]-4,4'-dicarbaldehyde
CID 154708474
4-[1-(4-hydroxy-3,5-dimethylphenyl)-2,4,4-trimethylcyclopentyl]-2,6-dimethylphenol
CID 18968520
1,1,3-trimethyl-3-(4-sulfanylphenyl)-2H-indene-5-thiol
CID 20706896

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-3,5-dimethylphenyl)-1,1,3,6-tetramethyl-2H-inden-5-ol?
The IUPAC name of 3-(4-hydroxy-3,5-dimethylphenyl)-1,1,3,6-tetramethyl-2H-inden-5-ol (CID 139669315) is 3-(4-hydroxy-3,5-dimethylphenyl)-1,1,3,6-tetramethyl-2H-inden-5-ol.
What is the SMILES notation for 3-(4-hydroxy-3,5-dimethylphenyl)-1,1,3,6-tetramethyl-2H-inden-5-ol?
The canonical SMILES for 3-(4-hydroxy-3,5-dimethylphenyl)-1,1,3,6-tetramethyl-2H-inden-5-ol is Cc1cc2c(cc1O)C(C)(c1cc(C)c(O)c(C)c1)CC2(C)C.
What is the InChIKey of 3-(4-hydroxy-3,5-dimethylphenyl)-1,1,3,6-tetramethyl-2H-inden-5-ol?
The InChIKey is XEFBFOVZEDKBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O2/c1-12-9-16-17(10-18(12)22)21(6,11-20(16,4)5)15-7-13(2)19(23)14(3)8-15/h7-10,22-23H,11H2,1-6H3.
What are the key properties of 3-(4-hydroxy-3,5-dimethylphenyl)-1,1,3,6-tetramethyl-2H-inden-5-ol?
3-(4-hydroxy-3,5-dimethylphenyl)-1,1,3,6-tetramethyl-2H-inden-5-ol has a molecular weight of 310.44 g/mol, XLogP of 5.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-3,5-dimethylphenyl)-1,1,3,6-tetramethyl-2H-inden-5-ol is sourced from PubChem (CID 139669315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).