4-(dimethoxymethyl)xanthen-9-one

C16H14O4 — CID 154941110

IUPAC4-(dimethoxymethyl)xanthen-9-one
SMILESCOC(OC)c1cccc2c(=O)c3ccccc3oc12
InChIInChI=1S/C16H14O4/c1-18-16(19-2)12-8-5-7-11-14(17)10-6-3-4-9-13(10)20-15(11)12/h3-9,16H,1-2H3
InChIKeyHFIZRFNTWVRIKH-UHFFFAOYSA-N
MW270.28 g/mol
LogP3.24
Rot. Bonds3

About 4-(dimethoxymethyl)xanthen-9-one

4-(dimethoxymethyl)xanthen-9-one (PubChem CID 154941110) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is 4-(dimethoxymethyl)xanthen-9-one.

Molecular Properties

Compound Name4-(dimethoxymethyl)xanthen-9-one
PubChem CID154941110
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name4-(dimethoxymethyl)xanthen-9-one
SMILESCOC(OC)c1cccc2c(=O)c3ccccc3oc12
InChIInChI=1S/C16H14O4/c1-18-16(19-2)12-8-5-7-11-14(17)10-6-3-4-9-13(10)20-15(11)12/h3-9,16H,1-2H3
InChIKeyHFIZRFNTWVRIKH-UHFFFAOYSA-N
XLogP3.24
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethoxymethyl)xanthen-9-one?
The IUPAC name of 4-(dimethoxymethyl)xanthen-9-one (CID 154941110) is 4-(dimethoxymethyl)xanthen-9-one.
What is the SMILES notation for 4-(dimethoxymethyl)xanthen-9-one?
The canonical SMILES for 4-(dimethoxymethyl)xanthen-9-one is COC(OC)c1cccc2c(=O)c3ccccc3oc12.
What is the InChIKey of 4-(dimethoxymethyl)xanthen-9-one?
The InChIKey is HFIZRFNTWVRIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-18-16(19-2)12-8-5-7-11-14(17)10-6-3-4-9-13(10)20-15(11)12/h3-9,16H,1-2H3.
What are the key properties of 4-(dimethoxymethyl)xanthen-9-one?
4-(dimethoxymethyl)xanthen-9-one has a molecular weight of 270.28 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethoxymethyl)xanthen-9-one is sourced from PubChem (CID 154941110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).