7-benzyl-1,2-dimethoxyxanthen-9-one

C22H18O4 — CID 10882520

IUPAC7-benzyl-1,2-dimethoxyxanthen-9-one
SMILESCOc1ccc2oc3ccc(Cc4ccccc4)cc3c(=O)c2c1OC
InChIInChI=1S/C22H18O4/c1-24-19-11-10-18-20(22(19)25-2)21(23)16-13-15(8-9-17(16)26-18)12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3
InChIKeyRAYYACUWPQXGNP-UHFFFAOYSA-N
MW346.38 g/mol
LogP4.55
Rot. Bonds4

About 7-benzyl-1,2-dimethoxyxanthen-9-one

7-benzyl-1,2-dimethoxyxanthen-9-one (PubChem CID 10882520) has the molecular formula C22H18O4 and a molecular weight of 346.38 g/mol. Its IUPAC name is 7-benzyl-1,2-dimethoxyxanthen-9-one.

Molecular Properties

Compound Name7-benzyl-1,2-dimethoxyxanthen-9-one
PubChem CID10882520
Molecular FormulaC22H18O4
Molecular Weight346.38 g/mol
Exact Mass346.12
IUPAC Name7-benzyl-1,2-dimethoxyxanthen-9-one
SMILESCOc1ccc2oc3ccc(Cc4ccccc4)cc3c(=O)c2c1OC
InChIInChI=1S/C22H18O4/c1-24-19-11-10-18-20(22(19)25-2)21(23)16-13-15(8-9-17(16)26-18)12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3
InChIKeyRAYYACUWPQXGNP-UHFFFAOYSA-N
XLogP4.55
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 54.55
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

7-hydroxy-1,2-dimethoxyxanthen-9-one
CID 86062550
azane;4-benzyl-1,2-dimethoxybenzene
CID 69220644
4-benzyl-1-methoxy-2-phenylbenzene
CID 19420150
1,2-dimethoxy-3-methylxanthen-9-one
CID 174891108
7-hydroxy-1,2,3-trimethoxyxanthen-9-one
CID 5320290
2-(3,4-dimethoxyphenyl)-6-(hydroxymethyl)-3-methoxychromen-4-one
CID 58427526
2-benzylxanthene-9-thione
CID 88726523
6-benzyl-2-phenylchromen-4-one
CID 90747479
1-(5-benzyl-2-methoxyphenyl)ethanone
CID 10681517
7-hydroxy-1-methoxyxanthen-9-one
CID 10490332
[5-benzyl-3-(methoxymethyl)-1-benzofuran-2-yl]methanamine
CID 114377183
2,3-dimethoxybicyclo[4.1.0]hepta-1(6),2,4-trien-7-one
CID 174869830

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-1,2-dimethoxyxanthen-9-one?
The IUPAC name of 7-benzyl-1,2-dimethoxyxanthen-9-one (CID 10882520) is 7-benzyl-1,2-dimethoxyxanthen-9-one.
What is the SMILES notation for 7-benzyl-1,2-dimethoxyxanthen-9-one?
The canonical SMILES for 7-benzyl-1,2-dimethoxyxanthen-9-one is COc1ccc2oc3ccc(Cc4ccccc4)cc3c(=O)c2c1OC.
What is the InChIKey of 7-benzyl-1,2-dimethoxyxanthen-9-one?
The InChIKey is RAYYACUWPQXGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O4/c1-24-19-11-10-18-20(22(19)25-2)21(23)16-13-15(8-9-17(16)26-18)12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3.
What are the key properties of 7-benzyl-1,2-dimethoxyxanthen-9-one?
7-benzyl-1,2-dimethoxyxanthen-9-one has a molecular weight of 346.38 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-1,2-dimethoxyxanthen-9-one is sourced from PubChem (CID 10882520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).