4-hydroxy-2,4,6-tris(prop-2-enyl)cyclohexa-2,5-dien-1-one

C15H18O2 — CID 70598030

IUPAC4-hydroxy-2,4,6-tris(prop-2-enyl)cyclohexa-2,5-dien-1-one
SMILESC=CCC1=CC(O)(CC=C)C=C(CC=C)C1=O
InChIInChI=1S/C15H18O2/c1-4-7-12-10-15(17,9-6-3)11-13(8-5-2)14(12)16/h4-6,10-11,17H,1-3,7-9H2
InChIKeyXDAPGXIBGLBFBX-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.88
Rot. Bonds6

About 4-hydroxy-2,4,6-tris(prop-2-enyl)cyclohexa-2,5-dien-1-one

4-hydroxy-2,4,6-tris(prop-2-enyl)cyclohexa-2,5-dien-1-one (PubChem CID 70598030) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-hydroxy-2,4,6-tris(prop-2-enyl)cyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name4-hydroxy-2,4,6-tris(prop-2-enyl)cyclohexa-2,5-dien-1-one
PubChem CID70598030
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name4-hydroxy-2,4,6-tris(prop-2-enyl)cyclohexa-2,5-dien-1-one
SMILESC=CCC1=CC(O)(CC=C)C=C(CC=C)C1=O
InChIInChI=1S/C15H18O2/c1-4-7-12-10-15(17,9-6-3)11-13(8-5-2)14(12)16/h4-6,10-11,17H,1-3,7-9H2
InChIKeyXDAPGXIBGLBFBX-UHFFFAOYSA-N
XLogP2.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.88
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-hydroxy-2,4,6-tris(prop-2-enyl)cyclohexa-2,5-dien-1-one?
The IUPAC name of 4-hydroxy-2,4,6-tris(prop-2-enyl)cyclohexa-2,5-dien-1-one (CID 70598030) is 4-hydroxy-2,4,6-tris(prop-2-enyl)cyclohexa-2,5-dien-1-one.
What is the SMILES notation for 4-hydroxy-2,4,6-tris(prop-2-enyl)cyclohexa-2,5-dien-1-one?
The canonical SMILES for 4-hydroxy-2,4,6-tris(prop-2-enyl)cyclohexa-2,5-dien-1-one is C=CCC1=CC(O)(CC=C)C=C(CC=C)C1=O.
What is the InChIKey of 4-hydroxy-2,4,6-tris(prop-2-enyl)cyclohexa-2,5-dien-1-one?
The InChIKey is XDAPGXIBGLBFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-4-7-12-10-15(17,9-6-3)11-13(8-5-2)14(12)16/h4-6,10-11,17H,1-3,7-9H2.
What are the key properties of 4-hydroxy-2,4,6-tris(prop-2-enyl)cyclohexa-2,5-dien-1-one?
4-hydroxy-2,4,6-tris(prop-2-enyl)cyclohexa-2,5-dien-1-one has a molecular weight of 230.31 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2,4,6-tris(prop-2-enyl)cyclohexa-2,5-dien-1-one is sourced from PubChem (CID 70598030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).