2,6-bis(2,3-dihydro-1H-inden-1-yl)phenol

C24H22O — CID 57426233

IUPAC2,6-bis(2,3-dihydro-1H-inden-1-yl)phenol
SMILESOc1c(C2CCc3ccccc32)cccc1C1CCc2ccccc21
InChIInChI=1S/C24H22O/c25-24-22(20-14-12-16-6-1-3-8-18(16)20)10-5-11-23(24)21-15-13-17-7-2-4-9-19(17)21/h1-11,20-21,25H,12-15H2
InChIKeyOTRHKFTVYTUSOZ-UHFFFAOYSA-N
MW326.44 g/mol
LogP5.55
Rot. Bonds2

About 2,6-bis(2,3-dihydro-1H-inden-1-yl)phenol

2,6-bis(2,3-dihydro-1H-inden-1-yl)phenol (PubChem CID 57426233) has the molecular formula C24H22O and a molecular weight of 326.44 g/mol. Its IUPAC name is 2,6-bis(2,3-dihydro-1H-inden-1-yl)phenol.

Molecular Properties

Compound Name2,6-bis(2,3-dihydro-1H-inden-1-yl)phenol
PubChem CID57426233
Molecular FormulaC24H22O
Molecular Weight326.44 g/mol
Exact Mass326.17
IUPAC Name2,6-bis(2,3-dihydro-1H-inden-1-yl)phenol
SMILESOc1c(C2CCc3ccccc32)cccc1C1CCc2ccccc21
InChIInChI=1S/C24H22O/c25-24-22(20-14-12-16-6-1-3-8-18(16)20)10-5-11-23(24)21-15-13-17-7-2-4-9-19(17)21/h1-11,20-21,25H,12-15H2
InChIKeyOTRHKFTVYTUSOZ-UHFFFAOYSA-N
XLogP5.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.44
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(2,3-dihydro-1H-inden-1-yl)phenol?
The IUPAC name of 2,6-bis(2,3-dihydro-1H-inden-1-yl)phenol (CID 57426233) is 2,6-bis(2,3-dihydro-1H-inden-1-yl)phenol.
What is the SMILES notation for 2,6-bis(2,3-dihydro-1H-inden-1-yl)phenol?
The canonical SMILES for 2,6-bis(2,3-dihydro-1H-inden-1-yl)phenol is Oc1c(C2CCc3ccccc32)cccc1C1CCc2ccccc21.
What is the InChIKey of 2,6-bis(2,3-dihydro-1H-inden-1-yl)phenol?
The InChIKey is OTRHKFTVYTUSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O/c25-24-22(20-14-12-16-6-1-3-8-18(16)20)10-5-11-23(24)21-15-13-17-7-2-4-9-19(17)21/h1-11,20-21,25H,12-15H2.
What are the key properties of 2,6-bis(2,3-dihydro-1H-inden-1-yl)phenol?
2,6-bis(2,3-dihydro-1H-inden-1-yl)phenol has a molecular weight of 326.44 g/mol, XLogP of 5.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(2,3-dihydro-1H-inden-1-yl)phenol is sourced from PubChem (CID 57426233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).