2,7-ditert-butyl-9-ethylcarbazole-3,6-diol

C22H29NO2 — CID 102526879

IUPAC2,7-ditert-butyl-9-ethylcarbazole-3,6-diol
SMILESCCn1c2cc(C(C)(C)C)c(O)cc2c2cc(O)c(C(C)(C)C)cc21
InChIInChI=1S/C22H29NO2/c1-8-23-17-11-15(21(2,3)4)19(24)9-13(17)14-10-20(25)16(12-18(14)23)22(5,6)7/h9-12,24-25H,8H2,1-7H3
InChIKeyKDTXXAHAXXSWBM-UHFFFAOYSA-N
MW339.48 g/mol
LogP5.82
Rot. Bonds1

About 2,7-ditert-butyl-9-ethylcarbazole-3,6-diol

2,7-ditert-butyl-9-ethylcarbazole-3,6-diol (PubChem CID 102526879) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is 2,7-ditert-butyl-9-ethylcarbazole-3,6-diol.

Molecular Properties

Compound Name2,7-ditert-butyl-9-ethylcarbazole-3,6-diol
PubChem CID102526879
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name2,7-ditert-butyl-9-ethylcarbazole-3,6-diol
SMILESCCn1c2cc(C(C)(C)C)c(O)cc2c2cc(O)c(C(C)(C)C)cc21
InChIInChI=1S/C22H29NO2/c1-8-23-17-11-15(21(2,3)4)19(24)9-13(17)14-10-20(25)16(12-18(14)23)22(5,6)7/h9-12,24-25H,8H2,1-7H3
InChIKeyKDTXXAHAXXSWBM-UHFFFAOYSA-N
XLogP5.82
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.48
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 13097614
2,4-ditert-butyl-5-methylphenol
CID 10346
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CID 23345326
2-tert-butylbenzene-1,4-diol;ethanol
CID 158505394
2,4-ditert-butyl-5-methylphenol;titanium
CID 174406764
1-ethyl-2-(2-hydroxypropan-2-yl)indol-4-ol
CID 117120545
bis(2-tert-butyl-4-ethylphenol);methane
CID 174954816
1,8-ditert-butyl-9-ethylcarbazole
CID 142290146
2-tert-butyl-5-methyl-4-[2,3,3-tris(5-tert-butyl-4-hydroxy-2-methylphenyl)butan-2-yl]phenol
CID 160646007
3-tert-butyl-6,9-diethylcarbazole
CID 143233690
4-tert-butyl-6-pyrrol-1-ylbenzene-1,3-diol
CID 102002847
5-butan-2-yl-2-tert-butyl-4-fluorophenol
CID 118092191

Frequently Asked Questions

What is the IUPAC name of 2,7-ditert-butyl-9-ethylcarbazole-3,6-diol?
The IUPAC name of 2,7-ditert-butyl-9-ethylcarbazole-3,6-diol (CID 102526879) is 2,7-ditert-butyl-9-ethylcarbazole-3,6-diol.
What is the SMILES notation for 2,7-ditert-butyl-9-ethylcarbazole-3,6-diol?
The canonical SMILES for 2,7-ditert-butyl-9-ethylcarbazole-3,6-diol is CCn1c2cc(C(C)(C)C)c(O)cc2c2cc(O)c(C(C)(C)C)cc21.
What is the InChIKey of 2,7-ditert-butyl-9-ethylcarbazole-3,6-diol?
The InChIKey is KDTXXAHAXXSWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-8-23-17-11-15(21(2,3)4)19(24)9-13(17)14-10-20(25)16(12-18(14)23)22(5,6)7/h9-12,24-25H,8H2,1-7H3.
What are the key properties of 2,7-ditert-butyl-9-ethylcarbazole-3,6-diol?
2,7-ditert-butyl-9-ethylcarbazole-3,6-diol has a molecular weight of 339.48 g/mol, XLogP of 5.82, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-ditert-butyl-9-ethylcarbazole-3,6-diol is sourced from PubChem (CID 102526879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).