2-tert-butyl-6-(2-ethyl-1H-inden-1-yl)phenol

C21H24O — CID 141043796

IUPAC2-tert-butyl-6-(2-ethyl-1H-inden-1-yl)phenol
SMILESCCC1=Cc2ccccc2C1c1cccc(C(C)(C)C)c1O
InChIInChI=1S/C21H24O/c1-5-14-13-15-9-6-7-10-16(15)19(14)17-11-8-12-18(20(17)22)21(2,3)4/h6-13,19,22H,5H2,1-4H3
InChIKeyBFSKGFVMYJGWPP-UHFFFAOYSA-N
MW292.42 g/mol
LogP5.63
Rot. Bonds2

About 2-tert-butyl-6-(2-ethyl-1H-inden-1-yl)phenol

2-tert-butyl-6-(2-ethyl-1H-inden-1-yl)phenol (PubChem CID 141043796) has the molecular formula C21H24O and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-tert-butyl-6-(2-ethyl-1H-inden-1-yl)phenol.

Molecular Properties

Compound Name2-tert-butyl-6-(2-ethyl-1H-inden-1-yl)phenol
PubChem CID141043796
Molecular FormulaC21H24O
Molecular Weight292.42 g/mol
Exact Mass292.18
IUPAC Name2-tert-butyl-6-(2-ethyl-1H-inden-1-yl)phenol
SMILESCCC1=Cc2ccccc2C1c1cccc(C(C)(C)C)c1O
InChIInChI=1S/C21H24O/c1-5-14-13-15-9-6-7-10-16(15)19(14)17-11-8-12-18(20(17)22)21(2,3)4/h6-13,19,22H,5H2,1-4H3
InChIKeyBFSKGFVMYJGWPP-UHFFFAOYSA-N
XLogP5.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.42
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-tert-butyl-6-cyclopropylphenol
CID 139975684
2,6-ditert-butylphenol;hydrazine;hydrate
CID 174824895
1,2-diethyl-1H-indene
CID 54262428
2-tert-butyl-6-(3,4-diphenylcyclopenta-2,4-dien-1-yl)phenol
CID 101333517
2,6-ditert-butylphenol;N-ethylethanamine
CID 71675640
2,4-ditert-butyl-6-(9H-fluoren-9-yl)phenol;titanium;dihydrochloride
CID 87486951
2-[2-(2-methyl-1H-inden-1-yl)phenyl]propan-2-ol
CID 139951458
1-cyclohexyl-2-ethyl-1H-indene
CID 173422098
1-tert-butyl-9H-fluoren-9-ol
CID 126502935
1-tert-butyl-2-[(1-tert-butyl-1H-inden-2-yl)methyl]-1H-indene
CID 54456001
2,6-ditert-butylphenol;methyl propanoate
CID 174866169
2-tert-butyl-6-methylphenol
CID 16678

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(2-ethyl-1H-inden-1-yl)phenol?
The IUPAC name of 2-tert-butyl-6-(2-ethyl-1H-inden-1-yl)phenol (CID 141043796) is 2-tert-butyl-6-(2-ethyl-1H-inden-1-yl)phenol.
What is the SMILES notation for 2-tert-butyl-6-(2-ethyl-1H-inden-1-yl)phenol?
The canonical SMILES for 2-tert-butyl-6-(2-ethyl-1H-inden-1-yl)phenol is CCC1=Cc2ccccc2C1c1cccc(C(C)(C)C)c1O.
What is the InChIKey of 2-tert-butyl-6-(2-ethyl-1H-inden-1-yl)phenol?
The InChIKey is BFSKGFVMYJGWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O/c1-5-14-13-15-9-6-7-10-16(15)19(14)17-11-8-12-18(20(17)22)21(2,3)4/h6-13,19,22H,5H2,1-4H3.
What are the key properties of 2-tert-butyl-6-(2-ethyl-1H-inden-1-yl)phenol?
2-tert-butyl-6-(2-ethyl-1H-inden-1-yl)phenol has a molecular weight of 292.42 g/mol, XLogP of 5.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(2-ethyl-1H-inden-1-yl)phenol is sourced from PubChem (CID 141043796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).