1-hydroxy-5-[(E)-4-methoxybut-2-enoxy]-6-(2-methylbut-3-en-2-yloxy)xanthen-9-one

C23H24O6 — CID 71544724

IUPAC1-hydroxy-5-[(E)-4-methoxybut-2-enoxy]-6-(2-methylbut-3-en-2-yloxy)xanthen-9-one
SMILESC=CC(C)(C)Oc1ccc2c(=O)c3c(O)cccc3oc2c1OC/C=C/COC
InChIInChI=1S/C23H24O6/c1-5-23(2,3)29-18-12-11-15-20(25)19-16(24)9-8-10-17(19)28-21(15)22(18)27-14-7-6-13-26-4/h5-12,24H,1,13-14H2,2-4H3/b7-6+
InChIKeyMOVGDNCKNMUOHZ-VOTSOKGWSA-N
MW396.44 g/mol
LogP4.58
Rot. Bonds8

About 1-hydroxy-5-[(E)-4-methoxybut-2-enoxy]-6-(2-methylbut-3-en-2-yloxy)xanthen-9-one

1-hydroxy-5-[(E)-4-methoxybut-2-enoxy]-6-(2-methylbut-3-en-2-yloxy)xanthen-9-one (PubChem CID 71544724) has the molecular formula C23H24O6 and a molecular weight of 396.44 g/mol. Its IUPAC name is 1-hydroxy-5-[(E)-4-methoxybut-2-enoxy]-6-(2-methylbut-3-en-2-yloxy)xanthen-9-one.

Molecular Properties

Compound Name1-hydroxy-5-[(E)-4-methoxybut-2-enoxy]-6-(2-methylbut-3-en-2-yloxy)xanthen-9-one
PubChem CID71544724
Molecular FormulaC23H24O6
Molecular Weight396.44 g/mol
Exact Mass396.16
IUPAC Name1-hydroxy-5-[(E)-4-methoxybut-2-enoxy]-6-(2-methylbut-3-en-2-yloxy)xanthen-9-one
SMILESC=CC(C)(C)Oc1ccc2c(=O)c3c(O)cccc3oc2c1OC/C=C/COC
InChIInChI=1S/C23H24O6/c1-5-23(2,3)29-18-12-11-15-20(25)19-16(24)9-8-10-17(19)28-21(15)22(18)27-14-7-6-13-26-4/h5-12,24H,1,13-14H2,2-4H3/b7-6+
InChIKeyMOVGDNCKNMUOHZ-VOTSOKGWSA-N
XLogP4.58
TPSA78.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 1-hydroxy-5-[(E)-4-methoxybut-2-enoxy]-6-(2-methylbut-3-en-2-yloxy)xanthen-9-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-5-[(E)-4-methoxybut-2-enoxy]-6-(2-methylbut-3-en-2-yloxy)xanthen-9-one?
The IUPAC name of 1-hydroxy-5-[(E)-4-methoxybut-2-enoxy]-6-(2-methylbut-3-en-2-yloxy)xanthen-9-one (CID 71544724) is 1-hydroxy-5-[(E)-4-methoxybut-2-enoxy]-6-(2-methylbut-3-en-2-yloxy)xanthen-9-one.
What is the SMILES notation for 1-hydroxy-5-[(E)-4-methoxybut-2-enoxy]-6-(2-methylbut-3-en-2-yloxy)xanthen-9-one?
The canonical SMILES for 1-hydroxy-5-[(E)-4-methoxybut-2-enoxy]-6-(2-methylbut-3-en-2-yloxy)xanthen-9-one is C=CC(C)(C)Oc1ccc2c(=O)c3c(O)cccc3oc2c1OC/C=C/COC.
What is the InChIKey of 1-hydroxy-5-[(E)-4-methoxybut-2-enoxy]-6-(2-methylbut-3-en-2-yloxy)xanthen-9-one?
The InChIKey is MOVGDNCKNMUOHZ-VOTSOKGWSA-N. The full InChI is InChI=1S/C23H24O6/c1-5-23(2,3)29-18-12-11-15-20(25)19-16(24)9-8-10-17(19)28-21(15)22(18)27-14-7-6-13-26-4/h5-12,24H,1,13-14H2,2-4H3/b7-6+.
What are the key properties of 1-hydroxy-5-[(E)-4-methoxybut-2-enoxy]-6-(2-methylbut-3-en-2-yloxy)xanthen-9-one?
1-hydroxy-5-[(E)-4-methoxybut-2-enoxy]-6-(2-methylbut-3-en-2-yloxy)xanthen-9-one has a molecular weight of 396.44 g/mol, XLogP of 4.58, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-5-[(E)-4-methoxybut-2-enoxy]-6-(2-methylbut-3-en-2-yloxy)xanthen-9-one is sourced from PubChem (CID 71544724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).