1-methyl-4-propan-2-yloxyxanthen-9-one

C17H16O3 — CID 71575125

IUPAC1-methyl-4-propan-2-yloxyxanthen-9-one
SMILESCc1ccc(OC(C)C)c2oc3ccccc3c(=O)c12
InChIInChI=1S/C17H16O3/c1-10(2)19-14-9-8-11(3)15-16(18)12-6-4-5-7-13(12)20-17(14)15/h4-10H,1-3H3
InChIKeySTNUIQSAEVGNET-UHFFFAOYSA-N
MW268.31 g/mol
LogP4.04
Rot. Bonds2

About 1-methyl-4-propan-2-yloxyxanthen-9-one

1-methyl-4-propan-2-yloxyxanthen-9-one (PubChem CID 71575125) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is 1-methyl-4-propan-2-yloxyxanthen-9-one.

Molecular Properties

Compound Name1-methyl-4-propan-2-yloxyxanthen-9-one
PubChem CID71575125
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name1-methyl-4-propan-2-yloxyxanthen-9-one
SMILESCc1ccc(OC(C)C)c2oc3ccccc3c(=O)c12
InChIInChI=1S/C17H16O3/c1-10(2)19-14-9-8-11(3)15-16(18)12-6-4-5-7-13(12)20-17(14)15/h4-10H,1-3H3
InChIKeySTNUIQSAEVGNET-UHFFFAOYSA-N
XLogP4.04
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-1-methoxyxanthen-9-one
CID 162982875
1-ethenyl-4-methoxyxanthen-9-one
CID 11391100
4-methyl-8-propan-2-yloxychromen-2-one
CID 144546530
N-(4-propan-2-yloxydibenzofuran-1-carbonyl)pyridin-4-amine oxide
CID 86620987
3,4-dihydroxy-1,2-dimethylxanthen-9-one
CID 172645694
1-propan-2-ylsulfanyloxyxanthen-9-one
CID 54425681
2-(3-hydroxyphenyl)-3-propan-2-yloxychromen-4-one
CID 14146827
1-hydroxy-3-methoxy-2,4-dimethylxanthen-9-one
CID 86028059
3,4-dihydroxy-1-methoxyxanthen-9-one
CID 86220474
1,2-dimethoxy-3-methylxanthen-9-one
CID 174891108
4-(dimethoxymethyl)xanthen-9-one
CID 154941110
4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)-(2-propan-2-yloxyphenyl)methyl]chromen-2-one
CID 139833899

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-propan-2-yloxyxanthen-9-one?
The IUPAC name of 1-methyl-4-propan-2-yloxyxanthen-9-one (CID 71575125) is 1-methyl-4-propan-2-yloxyxanthen-9-one.
What is the SMILES notation for 1-methyl-4-propan-2-yloxyxanthen-9-one?
The canonical SMILES for 1-methyl-4-propan-2-yloxyxanthen-9-one is Cc1ccc(OC(C)C)c2oc3ccccc3c(=O)c12.
What is the InChIKey of 1-methyl-4-propan-2-yloxyxanthen-9-one?
The InChIKey is STNUIQSAEVGNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-10(2)19-14-9-8-11(3)15-16(18)12-6-4-5-7-13(12)20-17(14)15/h4-10H,1-3H3.
What are the key properties of 1-methyl-4-propan-2-yloxyxanthen-9-one?
1-methyl-4-propan-2-yloxyxanthen-9-one has a molecular weight of 268.31 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-propan-2-yloxyxanthen-9-one is sourced from PubChem (CID 71575125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).