6-tert-butyl-3-(3-hydroxyphenyl)-1,1,3-trimethyl-2H-inden-5-ol

C22H28O2 — CID 139711661

IUPAC6-tert-butyl-3-(3-hydroxyphenyl)-1,1,3-trimethyl-2H-inden-5-ol
SMILESCC(C)(C)c1cc2c(cc1O)C(C)(c1cccc(O)c1)CC2(C)C
InChIInChI=1S/C22H28O2/c1-20(2,3)18-11-16-17(12-19(18)24)22(6,13-21(16,4)5)14-8-7-9-15(23)10-14/h7-12,23-24H,13H2,1-6H3
InChIKeyGNVWBXOAFFJKHV-UHFFFAOYSA-N
MW324.46 g/mol
LogP5.38
Rot. Bonds1

About 6-tert-butyl-3-(3-hydroxyphenyl)-1,1,3-trimethyl-2H-inden-5-ol

6-tert-butyl-3-(3-hydroxyphenyl)-1,1,3-trimethyl-2H-inden-5-ol (PubChem CID 139711661) has the molecular formula C22H28O2 and a molecular weight of 324.46 g/mol. Its IUPAC name is 6-tert-butyl-3-(3-hydroxyphenyl)-1,1,3-trimethyl-2H-inden-5-ol.

Molecular Properties

Compound Name6-tert-butyl-3-(3-hydroxyphenyl)-1,1,3-trimethyl-2H-inden-5-ol
PubChem CID139711661
Molecular FormulaC22H28O2
Molecular Weight324.46 g/mol
Exact Mass324.21
IUPAC Name6-tert-butyl-3-(3-hydroxyphenyl)-1,1,3-trimethyl-2H-inden-5-ol
SMILESCC(C)(C)c1cc2c(cc1O)C(C)(c1cccc(O)c1)CC2(C)C
InChIInChI=1S/C22H28O2/c1-20(2,3)18-11-16-17(12-19(18)24)22(6,13-21(16,4)5)14-8-7-9-15(23)10-14/h7-12,23-24H,13H2,1-6H3
InChIKeyGNVWBXOAFFJKHV-UHFFFAOYSA-N
XLogP5.38
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.46
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-hydroxyphenyl)-1,1,3-trimethyl-6-propoxy-2H-inden-5-ol
CID 139711668
4-[2-(3-hydroxyphenyl)propan-2-yl]-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenol;3-(4-hydroxyphenyl)-1,1,3-trimethyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2H-inden-5-ol;3-(4-hydroxyphenyl)-1,1,3-trimethyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2H-inden-5-ol;5-[2-[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]propan-2-yl]-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenol;3-[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,1,3-trimethyl-2H-inden-5-ol;3-[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,1,3-trimethyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2H-inden-5-ol;3-[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,1,3-trimethyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2H-inden-5-ol
CID 158126552
6-(6-hydroxy-1,1,3,3-tetramethyl-2H-inden-5-yl)-1,1,3,3-tetramethyl-2H-inden-5-ol
CID 70523762
3-(1-amino-3-hydroxy-3-methylcyclobutyl)phenol
CID 115019423
1,1,3-trimethyl-3-(4-methylphenyl)-2H-inden-5-ol
CID 59962334
3-(4-hydroxy-3,5-dimethylphenyl)-1,1,3,6-tetramethyl-2H-inden-5-ol
CID 139669315
1-(4-hydroxy-3-nitrophenyl)-1,3,3-trimethyl-6-nitro-2H-inden-5-ol
CID 137364035
4-tert-butyl-3-(4-hydroxyphenyl)-1,1,3-trimethyl-2H-inden-5-ol
CID 139711683
1-(4-methoxyphenyl)-1,3,3-trimethyl-2H-inden-5-ol
CID 142243705
6-butoxy-3-(4-hydroxyphenyl)-1,1,3-trimethyl-2H-inden-5-ol
CID 139711635
1-(4-hydroxy-3-methylphenyl)-1,3,3,7-tetramethyl-2H-inden-5-ol
CID 139711675
2-[1-(3-hydroxyphenyl)cyclohexyl]phenol
CID 57034536

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-(3-hydroxyphenyl)-1,1,3-trimethyl-2H-inden-5-ol?
The IUPAC name of 6-tert-butyl-3-(3-hydroxyphenyl)-1,1,3-trimethyl-2H-inden-5-ol (CID 139711661) is 6-tert-butyl-3-(3-hydroxyphenyl)-1,1,3-trimethyl-2H-inden-5-ol.
What is the SMILES notation for 6-tert-butyl-3-(3-hydroxyphenyl)-1,1,3-trimethyl-2H-inden-5-ol?
The canonical SMILES for 6-tert-butyl-3-(3-hydroxyphenyl)-1,1,3-trimethyl-2H-inden-5-ol is CC(C)(C)c1cc2c(cc1O)C(C)(c1cccc(O)c1)CC2(C)C.
What is the InChIKey of 6-tert-butyl-3-(3-hydroxyphenyl)-1,1,3-trimethyl-2H-inden-5-ol?
The InChIKey is GNVWBXOAFFJKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O2/c1-20(2,3)18-11-16-17(12-19(18)24)22(6,13-21(16,4)5)14-8-7-9-15(23)10-14/h7-12,23-24H,13H2,1-6H3.
What are the key properties of 6-tert-butyl-3-(3-hydroxyphenyl)-1,1,3-trimethyl-2H-inden-5-ol?
6-tert-butyl-3-(3-hydroxyphenyl)-1,1,3-trimethyl-2H-inden-5-ol has a molecular weight of 324.46 g/mol, XLogP of 5.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-(3-hydroxyphenyl)-1,1,3-trimethyl-2H-inden-5-ol is sourced from PubChem (CID 139711661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).