4-[2,5-di(propan-2-yl)phenyl]-2-prop-1-enylphenol

C21H26O — CID 67926736

IUPAC4-[2,5-di(propan-2-yl)phenyl]-2-prop-1-enylphenol
SMILESCC=Cc1cc(-c2cc(C(C)C)ccc2C(C)C)ccc1O
InChIInChI=1S/C21H26O/c1-6-7-18-12-17(9-11-21(18)22)20-13-16(14(2)3)8-10-19(20)15(4)5/h6-15,22H,1-5H3
InChIKeyZAWPVQKXCWSZTO-UHFFFAOYSA-N
MW294.44 g/mol
LogP6.34
Rot. Bonds4

About 4-[2,5-di(propan-2-yl)phenyl]-2-prop-1-enylphenol

4-[2,5-di(propan-2-yl)phenyl]-2-prop-1-enylphenol (PubChem CID 67926736) has the molecular formula C21H26O and a molecular weight of 294.44 g/mol. Its IUPAC name is 4-[2,5-di(propan-2-yl)phenyl]-2-prop-1-enylphenol.

Molecular Properties

Compound Name4-[2,5-di(propan-2-yl)phenyl]-2-prop-1-enylphenol
PubChem CID67926736
Molecular FormulaC21H26O
Molecular Weight294.44 g/mol
Exact Mass294.20
IUPAC Name4-[2,5-di(propan-2-yl)phenyl]-2-prop-1-enylphenol
SMILESCC=Cc1cc(-c2cc(C(C)C)ccc2C(C)C)ccc1O
InChIInChI=1S/C21H26O/c1-6-7-18-12-17(9-11-21(18)22)20-13-16(14(2)3)8-10-19(20)15(4)5/h6-15,22H,1-5H3
InChIKeyZAWPVQKXCWSZTO-UHFFFAOYSA-N
XLogP6.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.44
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[2,5-di(propan-2-yl)phenyl]-2-prop-1-enylphenol?
The IUPAC name of 4-[2,5-di(propan-2-yl)phenyl]-2-prop-1-enylphenol (CID 67926736) is 4-[2,5-di(propan-2-yl)phenyl]-2-prop-1-enylphenol.
What is the SMILES notation for 4-[2,5-di(propan-2-yl)phenyl]-2-prop-1-enylphenol?
The canonical SMILES for 4-[2,5-di(propan-2-yl)phenyl]-2-prop-1-enylphenol is CC=Cc1cc(-c2cc(C(C)C)ccc2C(C)C)ccc1O.
What is the InChIKey of 4-[2,5-di(propan-2-yl)phenyl]-2-prop-1-enylphenol?
The InChIKey is ZAWPVQKXCWSZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O/c1-6-7-18-12-17(9-11-21(18)22)20-13-16(14(2)3)8-10-19(20)15(4)5/h6-15,22H,1-5H3.
What are the key properties of 4-[2,5-di(propan-2-yl)phenyl]-2-prop-1-enylphenol?
4-[2,5-di(propan-2-yl)phenyl]-2-prop-1-enylphenol has a molecular weight of 294.44 g/mol, XLogP of 6.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,5-di(propan-2-yl)phenyl]-2-prop-1-enylphenol is sourced from PubChem (CID 67926736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).