2-[2-(2-hydroxypropan-2-yl)phenyl]-3-(3-phenylprop-2-enoxy)phenol

C24H24O3 — CID 177248583

IUPAC2-[2-(2-hydroxypropan-2-yl)phenyl]-3-(3-phenylprop-2-enoxy)phenol
SMILESCC(C)(O)c1ccccc1-c1c(O)cccc1OCC=Cc1ccccc1
InChIInChI=1S/C24H24O3/c1-24(2,26)20-14-7-6-13-19(20)23-21(25)15-8-16-22(23)27-17-9-12-18-10-4-3-5-11-18/h3-16,25-26H,17H2,1-2H3
InChIKeyHVIKZWIZQCWFEH-UHFFFAOYSA-N
MW360.45 g/mol
LogP5.38
Rot. Bonds6

About 2-[2-(2-hydroxypropan-2-yl)phenyl]-3-(3-phenylprop-2-enoxy)phenol

2-[2-(2-hydroxypropan-2-yl)phenyl]-3-(3-phenylprop-2-enoxy)phenol (PubChem CID 177248583) has the molecular formula C24H24O3 and a molecular weight of 360.45 g/mol. Its IUPAC name is 2-[2-(2-hydroxypropan-2-yl)phenyl]-3-(3-phenylprop-2-enoxy)phenol.

Molecular Properties

Compound Name2-[2-(2-hydroxypropan-2-yl)phenyl]-3-(3-phenylprop-2-enoxy)phenol
PubChem CID177248583
Molecular FormulaC24H24O3
Molecular Weight360.45 g/mol
Exact Mass360.17
IUPAC Name2-[2-(2-hydroxypropan-2-yl)phenyl]-3-(3-phenylprop-2-enoxy)phenol
SMILESCC(C)(O)c1ccccc1-c1c(O)cccc1OCC=Cc1ccccc1
InChIInChI=1S/C24H24O3/c1-24(2,26)20-14-7-6-13-19(20)23-21(25)15-8-16-22(23)27-17-9-12-18-10-4-3-5-11-18/h3-16,25-26H,17H2,1-2H3
InChIKeyHVIKZWIZQCWFEH-UHFFFAOYSA-N
XLogP5.38
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.45
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxypropan-2-yl)phenyl]-3-(3-phenylprop-2-enoxy)phenol?
The IUPAC name of 2-[2-(2-hydroxypropan-2-yl)phenyl]-3-(3-phenylprop-2-enoxy)phenol (CID 177248583) is 2-[2-(2-hydroxypropan-2-yl)phenyl]-3-(3-phenylprop-2-enoxy)phenol.
What is the SMILES notation for 2-[2-(2-hydroxypropan-2-yl)phenyl]-3-(3-phenylprop-2-enoxy)phenol?
The canonical SMILES for 2-[2-(2-hydroxypropan-2-yl)phenyl]-3-(3-phenylprop-2-enoxy)phenol is CC(C)(O)c1ccccc1-c1c(O)cccc1OCC=Cc1ccccc1.
What is the InChIKey of 2-[2-(2-hydroxypropan-2-yl)phenyl]-3-(3-phenylprop-2-enoxy)phenol?
The InChIKey is HVIKZWIZQCWFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O3/c1-24(2,26)20-14-7-6-13-19(20)23-21(25)15-8-16-22(23)27-17-9-12-18-10-4-3-5-11-18/h3-16,25-26H,17H2,1-2H3.
What are the key properties of 2-[2-(2-hydroxypropan-2-yl)phenyl]-3-(3-phenylprop-2-enoxy)phenol?
2-[2-(2-hydroxypropan-2-yl)phenyl]-3-(3-phenylprop-2-enoxy)phenol has a molecular weight of 360.45 g/mol, XLogP of 5.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxypropan-2-yl)phenyl]-3-(3-phenylprop-2-enoxy)phenol is sourced from PubChem (CID 177248583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).