6-tert-butyl-2,3-dihydro-1H-inden-1-ol

C13H18O — CID 18402850

IUPAC6-tert-butyl-2,3-dihydro-1H-inden-1-ol
SMILESCC(C)(C)c1ccc2c(c1)C(O)CC2
InChIInChI=1S/C13H18O/c1-13(2,3)10-6-4-9-5-7-12(14)11(9)8-10/h4,6,8,12,14H,5,7H2,1-3H3
InChIKeyZFVNKELWXMPTGU-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.96
Rot. Bonds

About 6-tert-butyl-2,3-dihydro-1H-inden-1-ol

6-tert-butyl-2,3-dihydro-1H-inden-1-ol (PubChem CID 18402850) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 6-tert-butyl-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name6-tert-butyl-2,3-dihydro-1H-inden-1-ol
PubChem CID18402850
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name6-tert-butyl-2,3-dihydro-1H-inden-1-ol
SMILESCC(C)(C)c1ccc2c(c1)C(O)CC2
InChIInChI=1S/C13H18O/c1-13(2,3)10-6-4-9-5-7-12(14)11(9)8-10/h4,6,8,12,14H,5,7H2,1-3H3
InChIKeyZFVNKELWXMPTGU-UHFFFAOYSA-N
XLogP2.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 6-tert-butyl-2,3-dihydro-1H-inden-1-ol (CID 18402850) is 6-tert-butyl-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 6-tert-butyl-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 6-tert-butyl-2,3-dihydro-1H-inden-1-ol is CC(C)(C)c1ccc2c(c1)C(O)CC2.
What is the InChIKey of 6-tert-butyl-2,3-dihydro-1H-inden-1-ol?
The InChIKey is ZFVNKELWXMPTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-13(2,3)10-6-4-9-5-7-12(14)11(9)8-10/h4,6,8,12,14H,5,7H2,1-3H3.
What are the key properties of 6-tert-butyl-2,3-dihydro-1H-inden-1-ol?
6-tert-butyl-2,3-dihydro-1H-inden-1-ol has a molecular weight of 190.29 g/mol, XLogP of 2.96, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 18402850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).