2,2,5,7-tetramethyl-1,3,4,9-tetrahydrocarbazol-4-ol

C16H21NO — CID 65332947

IUPAC2,2,5,7-tetramethyl-1,3,4,9-tetrahydrocarbazol-4-ol
SMILESCc1cc(C)c2c3c([nH]c2c1)CC(C)(C)CC3O
InChIInChI=1S/C16H21NO/c1-9-5-10(2)14-11(6-9)17-12-7-16(3,4)8-13(18)15(12)14/h5-6,13,17-18H,7-8H2,1-4H3
InChIKeyCYBSYIJUFLLTAB-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.79
Rot. Bonds

About 2,2,5,7-tetramethyl-1,3,4,9-tetrahydrocarbazol-4-ol

2,2,5,7-tetramethyl-1,3,4,9-tetrahydrocarbazol-4-ol (PubChem CID 65332947) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 2,2,5,7-tetramethyl-1,3,4,9-tetrahydrocarbazol-4-ol.

Molecular Properties

Compound Name2,2,5,7-tetramethyl-1,3,4,9-tetrahydrocarbazol-4-ol
PubChem CID65332947
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name2,2,5,7-tetramethyl-1,3,4,9-tetrahydrocarbazol-4-ol
SMILESCc1cc(C)c2c3c([nH]c2c1)CC(C)(C)CC3O
InChIInChI=1S/C16H21NO/c1-9-5-10(2)14-11(6-9)17-12-7-16(3,4)8-13(18)15(12)14/h5-6,13,17-18H,7-8H2,1-4H3
InChIKeyCYBSYIJUFLLTAB-UHFFFAOYSA-N
XLogP3.79
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,5,7-tetramethyl-1,3,4,9-tetrahydrocarbazol-4-ol?
The IUPAC name of 2,2,5,7-tetramethyl-1,3,4,9-tetrahydrocarbazol-4-ol (CID 65332947) is 2,2,5,7-tetramethyl-1,3,4,9-tetrahydrocarbazol-4-ol.
What is the SMILES notation for 2,2,5,7-tetramethyl-1,3,4,9-tetrahydrocarbazol-4-ol?
The canonical SMILES for 2,2,5,7-tetramethyl-1,3,4,9-tetrahydrocarbazol-4-ol is Cc1cc(C)c2c3c([nH]c2c1)CC(C)(C)CC3O.
What is the InChIKey of 2,2,5,7-tetramethyl-1,3,4,9-tetrahydrocarbazol-4-ol?
The InChIKey is CYBSYIJUFLLTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-9-5-10(2)14-11(6-9)17-12-7-16(3,4)8-13(18)15(12)14/h5-6,13,17-18H,7-8H2,1-4H3.
What are the key properties of 2,2,5,7-tetramethyl-1,3,4,9-tetrahydrocarbazol-4-ol?
2,2,5,7-tetramethyl-1,3,4,9-tetrahydrocarbazol-4-ol has a molecular weight of 243.35 g/mol, XLogP of 3.79, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,7-tetramethyl-1,3,4,9-tetrahydrocarbazol-4-ol is sourced from PubChem (CID 65332947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).