4-[1-(4-hydroxy-3-prop-2-enylphenyl)butyl]-2-prop-2-enylphenol

C22H26O2 — CID 18178007

IUPAC4-[1-(4-hydroxy-3-prop-2-enylphenyl)butyl]-2-prop-2-enylphenol
SMILESC=CCc1cc(C(CCC)c2ccc(O)c(CC=C)c2)ccc1O
InChIInChI=1S/C22H26O2/c1-4-7-18-14-16(10-12-21(18)23)20(9-6-3)17-11-13-22(24)19(15-17)8-5-2/h4-5,10-15,20,23-24H,1-2,6-9H2,3H3
InChIKeyIAZPTZCEUBHDGN-UHFFFAOYSA-N
MW322.45 g/mol
LogP5.49
Rot. Bonds8

About 4-[1-(4-hydroxy-3-prop-2-enylphenyl)butyl]-2-prop-2-enylphenol

4-[1-(4-hydroxy-3-prop-2-enylphenyl)butyl]-2-prop-2-enylphenol (PubChem CID 18178007) has the molecular formula C22H26O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 4-[1-(4-hydroxy-3-prop-2-enylphenyl)butyl]-2-prop-2-enylphenol.

Molecular Properties

Compound Name4-[1-(4-hydroxy-3-prop-2-enylphenyl)butyl]-2-prop-2-enylphenol
PubChem CID18178007
Molecular FormulaC22H26O2
Molecular Weight322.45 g/mol
Exact Mass322.19
IUPAC Name4-[1-(4-hydroxy-3-prop-2-enylphenyl)butyl]-2-prop-2-enylphenol
SMILESC=CCc1cc(C(CCC)c2ccc(O)c(CC=C)c2)ccc1O
InChIInChI=1S/C22H26O2/c1-4-7-18-14-16(10-12-21(18)23)20(9-6-3)17-11-13-22(24)19(15-17)8-5-2/h4-5,10-15,20,23-24H,1-2,6-9H2,3H3
InChIKeyIAZPTZCEUBHDGN-UHFFFAOYSA-N
XLogP5.49
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.45
LogP ≤ 55.49
H-Bond Donors ≤ 52
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-[1-(4-hydroxy-3-prop-2-enylphenyl)butyl]-2-prop-2-enylphenol?
The IUPAC name of 4-[1-(4-hydroxy-3-prop-2-enylphenyl)butyl]-2-prop-2-enylphenol (CID 18178007) is 4-[1-(4-hydroxy-3-prop-2-enylphenyl)butyl]-2-prop-2-enylphenol.
What is the SMILES notation for 4-[1-(4-hydroxy-3-prop-2-enylphenyl)butyl]-2-prop-2-enylphenol?
The canonical SMILES for 4-[1-(4-hydroxy-3-prop-2-enylphenyl)butyl]-2-prop-2-enylphenol is C=CCc1cc(C(CCC)c2ccc(O)c(CC=C)c2)ccc1O.
What is the InChIKey of 4-[1-(4-hydroxy-3-prop-2-enylphenyl)butyl]-2-prop-2-enylphenol?
The InChIKey is IAZPTZCEUBHDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O2/c1-4-7-18-14-16(10-12-21(18)23)20(9-6-3)17-11-13-22(24)19(15-17)8-5-2/h4-5,10-15,20,23-24H,1-2,6-9H2,3H3.
What are the key properties of 4-[1-(4-hydroxy-3-prop-2-enylphenyl)butyl]-2-prop-2-enylphenol?
4-[1-(4-hydroxy-3-prop-2-enylphenyl)butyl]-2-prop-2-enylphenol has a molecular weight of 322.45 g/mol, XLogP of 5.49, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-hydroxy-3-prop-2-enylphenyl)butyl]-2-prop-2-enylphenol is sourced from PubChem (CID 18178007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).