2-prop-2-enyl-4-(5-prop-2-enyl-2-propoxyphenyl)phenol

C21H24O2 — CID 54592211

IUPAC2-prop-2-enyl-4-(5-prop-2-enyl-2-propoxyphenyl)phenol
SMILESC=CCc1ccc(OCCC)c(-c2ccc(O)c(CC=C)c2)c1
InChIInChI=1S/C21H24O2/c1-4-7-16-9-12-21(23-13-6-3)19(14-16)17-10-11-20(22)18(15-17)8-5-2/h4-5,9-12,14-15,22H,1-2,6-8,13H2,3H3
InChIKeyCPNPKRREQMIDHL-UHFFFAOYSA-N
MW308.42 g/mol
LogP5.30
Rot. Bonds8

About 2-prop-2-enyl-4-(5-prop-2-enyl-2-propoxyphenyl)phenol

2-prop-2-enyl-4-(5-prop-2-enyl-2-propoxyphenyl)phenol (PubChem CID 54592211) has the molecular formula C21H24O2 and a molecular weight of 308.42 g/mol. Its IUPAC name is 2-prop-2-enyl-4-(5-prop-2-enyl-2-propoxyphenyl)phenol.

Molecular Properties

Compound Name2-prop-2-enyl-4-(5-prop-2-enyl-2-propoxyphenyl)phenol
PubChem CID54592211
Molecular FormulaC21H24O2
Molecular Weight308.42 g/mol
Exact Mass308.18
IUPAC Name2-prop-2-enyl-4-(5-prop-2-enyl-2-propoxyphenyl)phenol
SMILESC=CCc1ccc(OCCC)c(-c2ccc(O)c(CC=C)c2)c1
InChIInChI=1S/C21H24O2/c1-4-7-16-9-12-21(23-13-6-3)19(14-16)17-10-11-20(22)18(15-17)8-5-2/h4-5,9-12,14-15,22H,1-2,6-8,13H2,3H3
InChIKeyCPNPKRREQMIDHL-UHFFFAOYSA-N
XLogP5.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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 2-prop-2-enyl-4-(5-prop-2-enyl-2-propoxyphenyl)phenol?
The IUPAC name of 2-prop-2-enyl-4-(5-prop-2-enyl-2-propoxyphenyl)phenol (CID 54592211) is 2-prop-2-enyl-4-(5-prop-2-enyl-2-propoxyphenyl)phenol.
What is the SMILES notation for 2-prop-2-enyl-4-(5-prop-2-enyl-2-propoxyphenyl)phenol?
The canonical SMILES for 2-prop-2-enyl-4-(5-prop-2-enyl-2-propoxyphenyl)phenol is C=CCc1ccc(OCCC)c(-c2ccc(O)c(CC=C)c2)c1.
What is the InChIKey of 2-prop-2-enyl-4-(5-prop-2-enyl-2-propoxyphenyl)phenol?
The InChIKey is CPNPKRREQMIDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O2/c1-4-7-16-9-12-21(23-13-6-3)19(14-16)17-10-11-20(22)18(15-17)8-5-2/h4-5,9-12,14-15,22H,1-2,6-8,13H2,3H3.
What are the key properties of 2-prop-2-enyl-4-(5-prop-2-enyl-2-propoxyphenyl)phenol?
2-prop-2-enyl-4-(5-prop-2-enyl-2-propoxyphenyl)phenol has a molecular weight of 308.42 g/mol, XLogP of 5.30, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-4-(5-prop-2-enyl-2-propoxyphenyl)phenol is sourced from PubChem (CID 54592211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).