2,3-ditert-butyl-2,3-dihydro-1H-inden-5-ol

C17H26O — CID 143952419

IUPAC2,3-ditert-butyl-2,3-dihydro-1H-inden-5-ol
SMILESCC(C)(C)C1Cc2ccc(O)cc2C1C(C)(C)C
InChIInChI=1S/C17H26O/c1-16(2,3)14-9-11-7-8-12(18)10-13(11)15(14)17(4,5)6/h7-8,10,14-15,18H,9H2,1-6H3
InChIKeyMVYCPFKUDGPAKY-UHFFFAOYSA-N
MW246.39 g/mol
LogP4.74
Rot. Bonds

About 2,3-ditert-butyl-2,3-dihydro-1H-inden-5-ol

2,3-ditert-butyl-2,3-dihydro-1H-inden-5-ol (PubChem CID 143952419) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 2,3-ditert-butyl-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name2,3-ditert-butyl-2,3-dihydro-1H-inden-5-ol
PubChem CID143952419
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name2,3-ditert-butyl-2,3-dihydro-1H-inden-5-ol
SMILESCC(C)(C)C1Cc2ccc(O)cc2C1C(C)(C)C
InChIInChI=1S/C17H26O/c1-16(2,3)14-9-11-7-8-12(18)10-13(11)15(14)17(4,5)6/h7-8,10,14-15,18H,9H2,1-6H3
InChIKeyMVYCPFKUDGPAKY-UHFFFAOYSA-N
XLogP4.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-ditert-butyl-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of 2,3-ditert-butyl-2,3-dihydro-1H-inden-5-ol (CID 143952419) is 2,3-ditert-butyl-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 2,3-ditert-butyl-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 2,3-ditert-butyl-2,3-dihydro-1H-inden-5-ol is CC(C)(C)C1Cc2ccc(O)cc2C1C(C)(C)C.
What is the InChIKey of 2,3-ditert-butyl-2,3-dihydro-1H-inden-5-ol?
The InChIKey is MVYCPFKUDGPAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-16(2,3)14-9-11-7-8-12(18)10-13(11)15(14)17(4,5)6/h7-8,10,14-15,18H,9H2,1-6H3.
What are the key properties of 2,3-ditert-butyl-2,3-dihydro-1H-inden-5-ol?
2,3-ditert-butyl-2,3-dihydro-1H-inden-5-ol has a molecular weight of 246.39 g/mol, XLogP of 4.74, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-ditert-butyl-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 143952419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).