1,2-dimethoxy-3-methylxanthen-9-one

C16H14O4 — CID 174891108

IUPAC1,2-dimethoxy-3-methylxanthen-9-one
SMILESCOc1c(C)cc2oc3ccccc3c(=O)c2c1OC
InChIInChI=1S/C16H14O4/c1-9-8-12-13(16(19-3)15(9)18-2)14(17)10-6-4-5-7-11(10)20-12/h4-8H,1-3H3
InChIKeyDMPKIULORTVCAG-UHFFFAOYSA-N
MW270.28 g/mol
LogP3.27
Rot. Bonds2

About 1,2-dimethoxy-3-methylxanthen-9-one

1,2-dimethoxy-3-methylxanthen-9-one (PubChem CID 174891108) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is 1,2-dimethoxy-3-methylxanthen-9-one.

Molecular Properties

Compound Name1,2-dimethoxy-3-methylxanthen-9-one
PubChem CID174891108
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name1,2-dimethoxy-3-methylxanthen-9-one
SMILESCOc1c(C)cc2oc3ccccc3c(=O)c2c1OC
InChIInChI=1S/C16H14O4/c1-9-8-12-13(16(19-3)15(9)18-2)14(17)10-6-4-5-7-11(10)20-12/h4-8H,1-3H3
InChIKeyDMPKIULORTVCAG-UHFFFAOYSA-N
XLogP3.27
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

11-methyl-8-oxatetracyclo[7.6.0.02,7.012,15]pentadeca-1(9),2,4,6,10,12(15)-hexaene-13,14-dione
CID 10728490
1-fluoro-3-methoxyxanthen-9-one
CID 155932992
4-methylpyrano[2,3-a]xanthene-2,12-dione
CID 13270680
3-hydroxy-1,2,4-trimethoxyxanthen-9-one
CID 5386265
9,15-dimethyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 59403826
1,2-dimethyl-3-phenylxanthen-9-one
CID 10732980
1,2-dimethoxy-9-oxoxanthene-4-carbaldehyde
CID 71664197
1-hydroxy-3-methoxy-2,4-dimethylxanthen-9-one
CID 86028059
3-methoxy-2-(4-methylphenyl)chromen-4-one
CID 139049420
(4S)-4-hydroxy-5-methoxy-2,2-dimethyl-3,4-dihydropyrano[3,2-b]xanthen-6-one
CID 12039177
2-methylxanthen-9-one;xanthen-9-one
CID 70546954
propane;xanthen-9-one
CID 90876458

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-3-methylxanthen-9-one?
The IUPAC name of 1,2-dimethoxy-3-methylxanthen-9-one (CID 174891108) is 1,2-dimethoxy-3-methylxanthen-9-one.
What is the SMILES notation for 1,2-dimethoxy-3-methylxanthen-9-one?
The canonical SMILES for 1,2-dimethoxy-3-methylxanthen-9-one is COc1c(C)cc2oc3ccccc3c(=O)c2c1OC.
What is the InChIKey of 1,2-dimethoxy-3-methylxanthen-9-one?
The InChIKey is DMPKIULORTVCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-9-8-12-13(16(19-3)15(9)18-2)14(17)10-6-4-5-7-11(10)20-12/h4-8H,1-3H3.
What are the key properties of 1,2-dimethoxy-3-methylxanthen-9-one?
1,2-dimethoxy-3-methylxanthen-9-one has a molecular weight of 270.28 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-3-methylxanthen-9-one is sourced from PubChem (CID 174891108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).