1,3,5,6-tetramethoxy-4-phenylxanthen-9-one

C23H20O6 — CID 73351016

IUPAC1,3,5,6-tetramethoxy-4-phenylxanthen-9-one
SMILESCOc1ccc2c(=O)c3c(OC)cc(OC)c(-c4ccccc4)c3oc2c1OC
InChIInChI=1S/C23H20O6/c1-25-15-11-10-14-20(24)19-17(27-3)12-16(26-2)18(13-8-6-5-7-9-13)23(19)29-21(14)22(15)28-4/h5-12H,1-4H3
InChIKeyICZOJAIVELMTCG-UHFFFAOYSA-N
MW392.41 g/mol
LogP4.65
Rot. Bonds5

About 1,3,5,6-tetramethoxy-4-phenylxanthen-9-one

1,3,5,6-tetramethoxy-4-phenylxanthen-9-one (PubChem CID 73351016) has the molecular formula C23H20O6 and a molecular weight of 392.41 g/mol. Its IUPAC name is 1,3,5,6-tetramethoxy-4-phenylxanthen-9-one.

Molecular Properties

Compound Name1,3,5,6-tetramethoxy-4-phenylxanthen-9-one
PubChem CID73351016
Molecular FormulaC23H20O6
Molecular Weight392.41 g/mol
Exact Mass392.13
IUPAC Name1,3,5,6-tetramethoxy-4-phenylxanthen-9-one
SMILESCOc1ccc2c(=O)c3c(OC)cc(OC)c(-c4ccccc4)c3oc2c1OC
InChIInChI=1S/C23H20O6/c1-25-15-11-10-14-20(24)19-17(27-3)12-16(26-2)18(13-8-6-5-7-9-13)23(19)29-21(14)22(15)28-4/h5-12H,1-4H3
InChIKeyICZOJAIVELMTCG-UHFFFAOYSA-N
XLogP4.65
TPSA67.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3,5,6-tetramethoxy-4-phenylxanthen-9-one?
The IUPAC name of 1,3,5,6-tetramethoxy-4-phenylxanthen-9-one (CID 73351016) is 1,3,5,6-tetramethoxy-4-phenylxanthen-9-one.
What is the SMILES notation for 1,3,5,6-tetramethoxy-4-phenylxanthen-9-one?
The canonical SMILES for 1,3,5,6-tetramethoxy-4-phenylxanthen-9-one is COc1ccc2c(=O)c3c(OC)cc(OC)c(-c4ccccc4)c3oc2c1OC.
What is the InChIKey of 1,3,5,6-tetramethoxy-4-phenylxanthen-9-one?
The InChIKey is ICZOJAIVELMTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O6/c1-25-15-11-10-14-20(24)19-17(27-3)12-16(26-2)18(13-8-6-5-7-9-13)23(19)29-21(14)22(15)28-4/h5-12H,1-4H3.
What are the key properties of 1,3,5,6-tetramethoxy-4-phenylxanthen-9-one?
1,3,5,6-tetramethoxy-4-phenylxanthen-9-one has a molecular weight of 392.41 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,6-tetramethoxy-4-phenylxanthen-9-one is sourced from PubChem (CID 73351016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).