2,3-dimethoxy-5-methylxanthen-9-one

C16H14O4 — CID 154723005

IUPAC2,3-dimethoxy-5-methylxanthen-9-one
SMILESCOc1cc2oc3c(C)cccc3c(=O)c2cc1OC
InChIInChI=1S/C16H14O4/c1-9-5-4-6-10-15(17)11-7-13(18-2)14(19-3)8-12(11)20-16(9)10/h4-8H,1-3H3
InChIKeyULTDLPKVWUDYCS-UHFFFAOYSA-N
MW270.28 g/mol
LogP3.27
Rot. Bonds2

About 2,3-dimethoxy-5-methylxanthen-9-one

2,3-dimethoxy-5-methylxanthen-9-one (PubChem CID 154723005) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is 2,3-dimethoxy-5-methylxanthen-9-one.

Molecular Properties

Compound Name2,3-dimethoxy-5-methylxanthen-9-one
PubChem CID154723005
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name2,3-dimethoxy-5-methylxanthen-9-one
SMILESCOc1cc2oc3c(C)cccc3c(=O)c2cc1OC
InChIInChI=1S/C16H14O4/c1-9-5-4-6-10-15(17)11-7-13(18-2)14(19-3)8-12(11)20-16(9)10/h4-8H,1-3H3
InChIKeyULTDLPKVWUDYCS-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

2-tert-butyl-5-methoxyxanthen-9-one
CID 164685848
3-methoxy-8-methyl-4-oxochromene-2-carboxylic acid
CID 83824191
3-iodo-6,7-dimethoxy-2-phenylchromen-4-one
CID 11718442
5-methoxy-3-[(2-methoxyphenyl)methyl]-8-methylchromen-2-one
CID 44592150
6,7-dimethoxy-3-methyl-4-oxochromene-2-carboxylic acid
CID 53231247
6-[2-(4-aminophenyl)ethynyl]-2,3-dimethoxyxanthen-9-one
CID 24747933
3,6-dimethyldibenzofuran;ethane
CID 142097287
4-methyl-N-(5-methyl-9-oxoxanthen-3-yl)benzamide
CID 23472102
2-fluoro-10-methoxybenzo[b]xanthen-12-one
CID 135167611
8-methoxybenzo[a]xanthen-12-one
CID 135193701
N-[3-(3,4-dimethoxyphenyl)-8-methyl-4-oxochromen-2-yl]pentanamide
CID 7693344
3-[(Z)-1-(dimethylamino)-3-oxobut-1-en-2-yl]oxy-2-methoxyxanthen-9-one
CID 172638321

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-5-methylxanthen-9-one?
The IUPAC name of 2,3-dimethoxy-5-methylxanthen-9-one (CID 154723005) is 2,3-dimethoxy-5-methylxanthen-9-one.
What is the SMILES notation for 2,3-dimethoxy-5-methylxanthen-9-one?
The canonical SMILES for 2,3-dimethoxy-5-methylxanthen-9-one is COc1cc2oc3c(C)cccc3c(=O)c2cc1OC.
What is the InChIKey of 2,3-dimethoxy-5-methylxanthen-9-one?
The InChIKey is ULTDLPKVWUDYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-9-5-4-6-10-15(17)11-7-13(18-2)14(19-3)8-12(11)20-16(9)10/h4-8H,1-3H3.
What are the key properties of 2,3-dimethoxy-5-methylxanthen-9-one?
2,3-dimethoxy-5-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 2,3-dimethoxy-5-methylxanthen-9-one is sourced from PubChem (CID 154723005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).