4-tert-butyl-1-(5-tert-butyl-4-hydroxy-2-methylphenyl)-2-ethyl-7-methyl-2,3-dihydro-1H-inden-5-ol

C27H38O2 — CID 142321868

IUPAC4-tert-butyl-1-(5-tert-butyl-4-hydroxy-2-methylphenyl)-2-ethyl-7-methyl-2,3-dihydro-1H-inden-5-ol
SMILESCCC1Cc2c(c(C)cc(O)c2C(C)(C)C)C1c1cc(C(C)(C)C)c(O)cc1C
InChIInChI=1S/C27H38O2/c1-10-17-13-19-23(16(3)12-22(29)25(19)27(7,8)9)24(17)18-14-20(26(4,5)6)21(28)11-15(18)2/h11-12,14,17,24,28-29H,10,13H2,1-9H3
InChIKeyNTBCEAKHPJVZTF-UHFFFAOYSA-N
MW394.60 g/mol
LogP7.02
Rot. Bonds2

About 4-tert-butyl-1-(5-tert-butyl-4-hydroxy-2-methylphenyl)-2-ethyl-7-methyl-2,3-dihydro-1H-inden-5-ol

4-tert-butyl-1-(5-tert-butyl-4-hydroxy-2-methylphenyl)-2-ethyl-7-methyl-2,3-dihydro-1H-inden-5-ol (PubChem CID 142321868) has the molecular formula C27H38O2 and a molecular weight of 394.60 g/mol. Its IUPAC name is 4-tert-butyl-1-(5-tert-butyl-4-hydroxy-2-methylphenyl)-2-ethyl-7-methyl-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name4-tert-butyl-1-(5-tert-butyl-4-hydroxy-2-methylphenyl)-2-ethyl-7-methyl-2,3-dihydro-1H-inden-5-ol
PubChem CID142321868
Molecular FormulaC27H38O2
Molecular Weight394.60 g/mol
Exact Mass394.29
IUPAC Name4-tert-butyl-1-(5-tert-butyl-4-hydroxy-2-methylphenyl)-2-ethyl-7-methyl-2,3-dihydro-1H-inden-5-ol
SMILESCCC1Cc2c(c(C)cc(O)c2C(C)(C)C)C1c1cc(C(C)(C)C)c(O)cc1C
InChIInChI=1S/C27H38O2/c1-10-17-13-19-23(16(3)12-22(29)25(19)27(7,8)9)24(17)18-14-20(26(4,5)6)21(28)11-15(18)2/h11-12,14,17,24,28-29H,10,13H2,1-9H3
InChIKeyNTBCEAKHPJVZTF-UHFFFAOYSA-N
XLogP7.02
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.60
LogP ≤ 57.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(5-tert-butyl-4-hydroxy-2-methylphenyl)-2-ethyl-7-methyl-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of 4-tert-butyl-1-(5-tert-butyl-4-hydroxy-2-methylphenyl)-2-ethyl-7-methyl-2,3-dihydro-1H-inden-5-ol (CID 142321868) is 4-tert-butyl-1-(5-tert-butyl-4-hydroxy-2-methylphenyl)-2-ethyl-7-methyl-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 4-tert-butyl-1-(5-tert-butyl-4-hydroxy-2-methylphenyl)-2-ethyl-7-methyl-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 4-tert-butyl-1-(5-tert-butyl-4-hydroxy-2-methylphenyl)-2-ethyl-7-methyl-2,3-dihydro-1H-inden-5-ol is CCC1Cc2c(c(C)cc(O)c2C(C)(C)C)C1c1cc(C(C)(C)C)c(O)cc1C.
What is the InChIKey of 4-tert-butyl-1-(5-tert-butyl-4-hydroxy-2-methylphenyl)-2-ethyl-7-methyl-2,3-dihydro-1H-inden-5-ol?
The InChIKey is NTBCEAKHPJVZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38O2/c1-10-17-13-19-23(16(3)12-22(29)25(19)27(7,8)9)24(17)18-14-20(26(4,5)6)21(28)11-15(18)2/h11-12,14,17,24,28-29H,10,13H2,1-9H3.
What are the key properties of 4-tert-butyl-1-(5-tert-butyl-4-hydroxy-2-methylphenyl)-2-ethyl-7-methyl-2,3-dihydro-1H-inden-5-ol?
4-tert-butyl-1-(5-tert-butyl-4-hydroxy-2-methylphenyl)-2-ethyl-7-methyl-2,3-dihydro-1H-inden-5-ol has a molecular weight of 394.60 g/mol, XLogP of 7.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(5-tert-butyl-4-hydroxy-2-methylphenyl)-2-ethyl-7-methyl-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 142321868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).