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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Related Compounds

Rotenone
CID 6758
Tangeretin
CID 68077
Diosmetin
CID 5281612
Silibinin
CID 31553
Epigallocatechin Gallate
CID 65064
Hesperetin
CID 72281
Ipriflavone
CID 3747
Glycitein
CID 5317750
Nobiletin
CID 72344
Mangostin
CID 5281650
Isorhamnetin
CID 5281654
Calycosin
CID 5280448

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).