2-tert-butyl-5-methoxyxanthen-9-one

C18H18O3 — CID 164685848

IUPAC2-tert-butyl-5-methoxyxanthen-9-one
SMILESCOc1cccc2c(=O)c3cc(C(C)(C)C)ccc3oc12
InChIInChI=1S/C18H18O3/c1-18(2,3)11-8-9-14-13(10-11)16(19)12-6-5-7-15(20-4)17(12)21-14/h5-10H,1-4H3
InChIKeyWGZPXAOZGCPRGK-UHFFFAOYSA-N
MW282.34 g/mol
LogP4.25
Rot. Bonds1

About 2-tert-butyl-5-methoxyxanthen-9-one

2-tert-butyl-5-methoxyxanthen-9-one (PubChem CID 164685848) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-tert-butyl-5-methoxyxanthen-9-one.

Molecular Properties

Compound Name2-tert-butyl-5-methoxyxanthen-9-one
PubChem CID164685848
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name2-tert-butyl-5-methoxyxanthen-9-one
SMILESCOc1cccc2c(=O)c3cc(C(C)(C)C)ccc3oc12
InChIInChI=1S/C18H18O3/c1-18(2,3)11-8-9-14-13(10-11)16(19)12-6-5-7-15(20-4)17(12)21-14/h5-10H,1-4H3
InChIKeyWGZPXAOZGCPRGK-UHFFFAOYSA-N
XLogP4.25
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 54.25
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

2,7-ditert-butylxanthen-9-one
CID 10859809
8-methoxybenzo[a]xanthen-12-one
CID 135193701
2,3-dimethoxy-5-methylxanthen-9-one
CID 154723005
2,8-ditert-butyldibenzofuran
CID 14914466
5-(3,7-ditert-butylnaphthalen-1-yl)-3-(9-oxoxanthen-2-yl)xanthen-9-one
CID 69098410
2-bromo-6-tert-butylxanthen-9-one
CID 146176297
1-hydroxy-3,4,5-trimethoxyxanthen-9-one
CID 72944463
1,7-dihydroxy-4-methoxyxanthen-9-one
CID 5465785
2-fluoro-10-methoxybenzo[b]xanthen-12-one
CID 135167611
4-methoxybenzo[b]oxanthrene-6,11-dione
CID 14811969
7-hydroxy-1-methoxyxanthen-9-one
CID 10490332
5-methoxy-1,3-bis(prop-2-enoxy)xanthen-9-one
CID 71334079

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-methoxyxanthen-9-one?
The IUPAC name of 2-tert-butyl-5-methoxyxanthen-9-one (CID 164685848) is 2-tert-butyl-5-methoxyxanthen-9-one.
What is the SMILES notation for 2-tert-butyl-5-methoxyxanthen-9-one?
The canonical SMILES for 2-tert-butyl-5-methoxyxanthen-9-one is COc1cccc2c(=O)c3cc(C(C)(C)C)ccc3oc12.
What is the InChIKey of 2-tert-butyl-5-methoxyxanthen-9-one?
The InChIKey is WGZPXAOZGCPRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-18(2,3)11-8-9-14-13(10-11)16(19)12-6-5-7-15(20-4)17(12)21-14/h5-10H,1-4H3.
What are the key properties of 2-tert-butyl-5-methoxyxanthen-9-one?
2-tert-butyl-5-methoxyxanthen-9-one has a molecular weight of 282.34 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-methoxyxanthen-9-one is sourced from PubChem (CID 164685848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).