3-(4-hydroxyphenyl)-1,1,3-trimethyl-4-(2-methylpropyl)-2H-inden-5-ol

C22H28O2 — CID 139711692

IUPAC3-(4-hydroxyphenyl)-1,1,3-trimethyl-4-(2-methylpropyl)-2H-inden-5-ol
SMILESCC(C)Cc1c(O)ccc2c1C(C)(c1ccc(O)cc1)CC2(C)C
InChIInChI=1S/C22H28O2/c1-14(2)12-17-19(24)11-10-18-20(17)22(5,13-21(18,3)4)15-6-8-16(23)9-7-15/h6-11,14,23-24H,12-13H2,1-5H3
InChIKeySLYUPXFUKHMUFV-UHFFFAOYSA-N
MW324.46 g/mol
LogP5.28
Rot. Bonds3

About 3-(4-hydroxyphenyl)-1,1,3-trimethyl-4-(2-methylpropyl)-2H-inden-5-ol

3-(4-hydroxyphenyl)-1,1,3-trimethyl-4-(2-methylpropyl)-2H-inden-5-ol (PubChem CID 139711692) has the molecular formula C22H28O2 and a molecular weight of 324.46 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-1,1,3-trimethyl-4-(2-methylpropyl)-2H-inden-5-ol.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-1,1,3-trimethyl-4-(2-methylpropyl)-2H-inden-5-ol
PubChem CID139711692
Molecular FormulaC22H28O2
Molecular Weight324.46 g/mol
Exact Mass324.21
IUPAC Name3-(4-hydroxyphenyl)-1,1,3-trimethyl-4-(2-methylpropyl)-2H-inden-5-ol
SMILESCC(C)Cc1c(O)ccc2c1C(C)(c1ccc(O)cc1)CC2(C)C
InChIInChI=1S/C22H28O2/c1-14(2)12-17-19(24)11-10-18-20(17)22(5,13-21(18,3)4)15-6-8-16(23)9-7-15/h6-11,14,23-24H,12-13H2,1-5H3
InChIKeySLYUPXFUKHMUFV-UHFFFAOYSA-N
XLogP5.28
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.46
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-3-(4-hydroxyphenyl)-1,1,3-trimethyl-2H-inden-5-ol
CID 139711683
3-(4-hydroxyphenyl)-1,1,3-trimethyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2H-inden-5-ol
CID 126486220
1-(4-hydroxy-3-methylphenyl)-1,3,3,7-tetramethyl-2H-inden-5-ol
CID 139711675
1,1,3-trimethyl-3-(4-methylphenyl)-2H-inden-5-ol
CID 59962334
CID 159190476
CID 159190476
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
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
2-(4-hydroxyphenyl)-2,4,4-trimethyl-3H-chromen-8-ol
CID 59266852
2,3-bis(2-methylpropyl)-4-propan-2-ylphenol
CID 139802113
1,1,3-trimethyl-5-propan-2-yl-3-(4-propan-2-ylphenyl)-2H-indene
CID 139620878
3-(3,5-dimethylphenyl)-4-[2-(3,5-dimethylphenyl)-4-hydroxyphenyl]sulfanylphenol;3-(4-hydroxyphenyl)-1,1,3-trimethyl-2H-inden-5-ol
CID 158669372

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-1,1,3-trimethyl-4-(2-methylpropyl)-2H-inden-5-ol?
The IUPAC name of 3-(4-hydroxyphenyl)-1,1,3-trimethyl-4-(2-methylpropyl)-2H-inden-5-ol (CID 139711692) is 3-(4-hydroxyphenyl)-1,1,3-trimethyl-4-(2-methylpropyl)-2H-inden-5-ol.
What is the SMILES notation for 3-(4-hydroxyphenyl)-1,1,3-trimethyl-4-(2-methylpropyl)-2H-inden-5-ol?
The canonical SMILES for 3-(4-hydroxyphenyl)-1,1,3-trimethyl-4-(2-methylpropyl)-2H-inden-5-ol is CC(C)Cc1c(O)ccc2c1C(C)(c1ccc(O)cc1)CC2(C)C.
What is the InChIKey of 3-(4-hydroxyphenyl)-1,1,3-trimethyl-4-(2-methylpropyl)-2H-inden-5-ol?
The InChIKey is SLYUPXFUKHMUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O2/c1-14(2)12-17-19(24)11-10-18-20(17)22(5,13-21(18,3)4)15-6-8-16(23)9-7-15/h6-11,14,23-24H,12-13H2,1-5H3.
What are the key properties of 3-(4-hydroxyphenyl)-1,1,3-trimethyl-4-(2-methylpropyl)-2H-inden-5-ol?
3-(4-hydroxyphenyl)-1,1,3-trimethyl-4-(2-methylpropyl)-2H-inden-5-ol has a molecular weight of 324.46 g/mol, XLogP of 5.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-1,1,3-trimethyl-4-(2-methylpropyl)-2H-inden-5-ol is sourced from PubChem (CID 139711692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).