4-hydroxy-3,5-bis(prop-2-enyl)benzamide

C13H15NO2 — CID 70425276

IUPAC4-hydroxy-3,5-bis(prop-2-enyl)benzamide
SMILESC=CCc1cc(C(N)=O)cc(CC=C)c1O
InChIInChI=1S/C13H15NO2/c1-3-5-9-7-11(13(14)16)8-10(6-4-2)12(9)15/h3-4,7-8,15H,1-2,5-6H2,(H2,14,16)
InChIKeyCCTLLHYSQLAPSZ-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.95
Rot. Bonds5

About 4-hydroxy-3,5-bis(prop-2-enyl)benzamide

4-hydroxy-3,5-bis(prop-2-enyl)benzamide (PubChem CID 70425276) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-hydroxy-3,5-bis(prop-2-enyl)benzamide.

Molecular Properties

Compound Name4-hydroxy-3,5-bis(prop-2-enyl)benzamide
PubChem CID70425276
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name4-hydroxy-3,5-bis(prop-2-enyl)benzamide
SMILESC=CCc1cc(C(N)=O)cc(CC=C)c1O
InChIInChI=1S/C13H15NO2/c1-3-5-9-7-11(13(14)16)8-10(6-4-2)12(9)15/h3-4,7-8,15H,1-2,5-6H2,(H2,14,16)
InChIKeyCCTLLHYSQLAPSZ-UHFFFAOYSA-N
XLogP1.95
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[[3,5-bis[[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]methyl]phenyl]methyl]-2,6-bis(prop-2-enyl)phenol
CID 67817993
4-(hydroxymethyl)-2,6-bis(prop-2-enyl)phenol
CID 67498252
5-amino-2-hydroxy-3-prop-2-enylbenzoic acid
CID 67985196
4-(chloromethyl)-2,6-bis(prop-2-enyl)phenol
CID 70573204
3-[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]propanal
CID 88801025
4-hydroxy-3-prop-2-enylbenzoic acid;zinc
CID 67875987
3,4,5-tris(prop-2-enyl)benzoic acid
CID 69493065
[3-[3-[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]propanoyloxy]-2,2-bis[3-[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]propanoyloxymethyl]propyl] 3-[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]propanoate
CID 88637919
2,6-bis(prop-2-enyl)-4-propylphenol
CID 67656083
3-prop-2-enoxyprop-1-ene;2,4,6-tris(prop-2-enyl)phenol
CID 67855244
[4-hydroxy-3,5-bis(prop-2-enyl)phenyl] butanoate
CID 174367755
methyl 3-[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]propanoate
CID 54045829

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3,5-bis(prop-2-enyl)benzamide?
The IUPAC name of 4-hydroxy-3,5-bis(prop-2-enyl)benzamide (CID 70425276) is 4-hydroxy-3,5-bis(prop-2-enyl)benzamide.
What is the SMILES notation for 4-hydroxy-3,5-bis(prop-2-enyl)benzamide?
The canonical SMILES for 4-hydroxy-3,5-bis(prop-2-enyl)benzamide is C=CCc1cc(C(N)=O)cc(CC=C)c1O.
What is the InChIKey of 4-hydroxy-3,5-bis(prop-2-enyl)benzamide?
The InChIKey is CCTLLHYSQLAPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-3-5-9-7-11(13(14)16)8-10(6-4-2)12(9)15/h3-4,7-8,15H,1-2,5-6H2,(H2,14,16).
What are the key properties of 4-hydroxy-3,5-bis(prop-2-enyl)benzamide?
4-hydroxy-3,5-bis(prop-2-enyl)benzamide has a molecular weight of 217.27 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3,5-bis(prop-2-enyl)benzamide is sourced from PubChem (CID 70425276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).