2,4-dibenzyl-6-(2-hydroxypropyl)phenol

C23H24O2 — CID 163237017

IUPAC2,4-dibenzyl-6-(2-hydroxypropyl)phenol
SMILESCC(O)Cc1cc(Cc2ccccc2)cc(Cc2ccccc2)c1O
InChIInChI=1S/C23H24O2/c1-17(24)12-21-15-20(13-18-8-4-2-5-9-18)16-22(23(21)25)14-19-10-6-3-7-11-19/h2-11,15-17,24-25H,12-14H2,1H3
InChIKeyYDXVCDZHEYSWQT-UHFFFAOYSA-N
MW332.44 g/mol
LogP4.50
Rot. Bonds6

About 2,4-dibenzyl-6-(2-hydroxypropyl)phenol

2,4-dibenzyl-6-(2-hydroxypropyl)phenol (PubChem CID 163237017) has the molecular formula C23H24O2 and a molecular weight of 332.44 g/mol. Its IUPAC name is 2,4-dibenzyl-6-(2-hydroxypropyl)phenol.

Molecular Properties

Compound Name2,4-dibenzyl-6-(2-hydroxypropyl)phenol
PubChem CID163237017
Molecular FormulaC23H24O2
Molecular Weight332.44 g/mol
Exact Mass332.18
IUPAC Name2,4-dibenzyl-6-(2-hydroxypropyl)phenol
SMILESCC(O)Cc1cc(Cc2ccccc2)cc(Cc2ccccc2)c1O
InChIInChI=1S/C23H24O2/c1-17(24)12-21-15-20(13-18-8-4-2-5-9-18)16-22(23(21)25)14-19-10-6-3-7-11-19/h2-11,15-17,24-25H,12-14H2,1H3
InChIKeyYDXVCDZHEYSWQT-UHFFFAOYSA-N
XLogP4.50
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibenzyl-6-(2-hydroxypropyl)phenol?
The IUPAC name of 2,4-dibenzyl-6-(2-hydroxypropyl)phenol (CID 163237017) is 2,4-dibenzyl-6-(2-hydroxypropyl)phenol.
What is the SMILES notation for 2,4-dibenzyl-6-(2-hydroxypropyl)phenol?
The canonical SMILES for 2,4-dibenzyl-6-(2-hydroxypropyl)phenol is CC(O)Cc1cc(Cc2ccccc2)cc(Cc2ccccc2)c1O.
What is the InChIKey of 2,4-dibenzyl-6-(2-hydroxypropyl)phenol?
The InChIKey is YDXVCDZHEYSWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O2/c1-17(24)12-21-15-20(13-18-8-4-2-5-9-18)16-22(23(21)25)14-19-10-6-3-7-11-19/h2-11,15-17,24-25H,12-14H2,1H3.
What are the key properties of 2,4-dibenzyl-6-(2-hydroxypropyl)phenol?
2,4-dibenzyl-6-(2-hydroxypropyl)phenol has a molecular weight of 332.44 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibenzyl-6-(2-hydroxypropyl)phenol is sourced from PubChem (CID 163237017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).