4-(2-propan-2-yloxy-5-prop-2-enylphenyl)-2-prop-2-enylphenol

C21H24O2 — CID 54756875

IUPAC4-(2-propan-2-yloxy-5-prop-2-enylphenyl)-2-prop-2-enylphenol
SMILESC=CCc1ccc(OC(C)C)c(-c2ccc(O)c(CC=C)c2)c1
InChIInChI=1S/C21H24O2/c1-5-7-16-9-12-21(23-15(3)4)19(13-16)17-10-11-20(22)18(14-17)8-6-2/h5-6,9-15,22H,1-2,7-8H2,3-4H3
InChIKeyHQCIDURXKJARJH-UHFFFAOYSA-N
MW308.42 g/mol
LogP5.30
Rot. Bonds7

About 4-(2-propan-2-yloxy-5-prop-2-enylphenyl)-2-prop-2-enylphenol

4-(2-propan-2-yloxy-5-prop-2-enylphenyl)-2-prop-2-enylphenol (PubChem CID 54756875) has the molecular formula C21H24O2 and a molecular weight of 308.42 g/mol. Its IUPAC name is 4-(2-propan-2-yloxy-5-prop-2-enylphenyl)-2-prop-2-enylphenol.

Molecular Properties

Compound Name4-(2-propan-2-yloxy-5-prop-2-enylphenyl)-2-prop-2-enylphenol
PubChem CID54756875
Molecular FormulaC21H24O2
Molecular Weight308.42 g/mol
Exact Mass308.18
IUPAC Name4-(2-propan-2-yloxy-5-prop-2-enylphenyl)-2-prop-2-enylphenol
SMILESC=CCc1ccc(OC(C)C)c(-c2ccc(O)c(CC=C)c2)c1
InChIInChI=1S/C21H24O2/c1-5-7-16-9-12-21(23-15(3)4)19(13-16)17-10-11-20(22)18(14-17)8-6-2/h5-6,9-15,22H,1-2,7-8H2,3-4H3
InChIKeyHQCIDURXKJARJH-UHFFFAOYSA-N
XLogP5.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.42
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-propan-2-yloxy-5-prop-2-enylphenyl)-2-prop-2-enylphenol?
The IUPAC name of 4-(2-propan-2-yloxy-5-prop-2-enylphenyl)-2-prop-2-enylphenol (CID 54756875) is 4-(2-propan-2-yloxy-5-prop-2-enylphenyl)-2-prop-2-enylphenol.
What is the SMILES notation for 4-(2-propan-2-yloxy-5-prop-2-enylphenyl)-2-prop-2-enylphenol?
The canonical SMILES for 4-(2-propan-2-yloxy-5-prop-2-enylphenyl)-2-prop-2-enylphenol is C=CCc1ccc(OC(C)C)c(-c2ccc(O)c(CC=C)c2)c1.
What is the InChIKey of 4-(2-propan-2-yloxy-5-prop-2-enylphenyl)-2-prop-2-enylphenol?
The InChIKey is HQCIDURXKJARJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O2/c1-5-7-16-9-12-21(23-15(3)4)19(13-16)17-10-11-20(22)18(14-17)8-6-2/h5-6,9-15,22H,1-2,7-8H2,3-4H3.
What are the key properties of 4-(2-propan-2-yloxy-5-prop-2-enylphenyl)-2-prop-2-enylphenol?
4-(2-propan-2-yloxy-5-prop-2-enylphenyl)-2-prop-2-enylphenol has a molecular weight of 308.42 g/mol, XLogP of 5.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propan-2-yloxy-5-prop-2-enylphenyl)-2-prop-2-enylphenol is sourced from PubChem (CID 54756875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).