2-methoxy-1-[2,4,6-trihydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]ethanone

C19H26O5 — CID 86702215

IUPAC2-methoxy-1-[2,4,6-trihydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]ethanone
SMILESCOCC(=O)c1c(O)c(CC=C(C)C)c(O)c(CC=C(C)C)c1O
InChIInChI=1S/C19H26O5/c1-11(2)6-8-13-17(21)14(9-7-12(3)4)19(23)16(18(13)22)15(20)10-24-5/h6-7,21-23H,8-10H2,1-5H3
InChIKeyDOPIILFSGIJDGT-UHFFFAOYSA-N
MW334.41 g/mol
LogP3.65
Rot. Bonds7

About 2-methoxy-1-[2,4,6-trihydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]ethanone

2-methoxy-1-[2,4,6-trihydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]ethanone (PubChem CID 86702215) has the molecular formula C19H26O5 and a molecular weight of 334.41 g/mol. Its IUPAC name is 2-methoxy-1-[2,4,6-trihydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[2,4,6-trihydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]ethanone
PubChem CID86702215
Molecular FormulaC19H26O5
Molecular Weight334.41 g/mol
Exact Mass334.18
IUPAC Name2-methoxy-1-[2,4,6-trihydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]ethanone
SMILESCOCC(=O)c1c(O)c(CC=C(C)C)c(O)c(CC=C(C)C)c1O
InChIInChI=1S/C19H26O5/c1-11(2)6-8-13-17(21)14(9-7-12(3)4)19(23)16(18(13)22)15(20)10-24-5/h6-7,21-23H,8-10H2,1-5H3
InChIKeyDOPIILFSGIJDGT-UHFFFAOYSA-N
XLogP3.65
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-methoxy-1-[2,4,6-trihydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]ethanone?
The IUPAC name of 2-methoxy-1-[2,4,6-trihydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]ethanone (CID 86702215) is 2-methoxy-1-[2,4,6-trihydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]ethanone.
What is the SMILES notation for 2-methoxy-1-[2,4,6-trihydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]ethanone?
The canonical SMILES for 2-methoxy-1-[2,4,6-trihydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]ethanone is COCC(=O)c1c(O)c(CC=C(C)C)c(O)c(CC=C(C)C)c1O.
What is the InChIKey of 2-methoxy-1-[2,4,6-trihydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]ethanone?
The InChIKey is DOPIILFSGIJDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O5/c1-11(2)6-8-13-17(21)14(9-7-12(3)4)19(23)16(18(13)22)15(20)10-24-5/h6-7,21-23H,8-10H2,1-5H3.
What are the key properties of 2-methoxy-1-[2,4,6-trihydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]ethanone?
2-methoxy-1-[2,4,6-trihydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]ethanone has a molecular weight of 334.41 g/mol, XLogP of 3.65, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[2,4,6-trihydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]ethanone is sourced from PubChem (CID 86702215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).