2-methoxy-6-(3,4,5-trimethoxyphenyl)phenalen-1-one

C23H20O5 — CID 166453589

IUPAC2-methoxy-6-(3,4,5-trimethoxyphenyl)phenalen-1-one
SMILESCOC1=Cc2ccc(-c3cc(OC)c(OC)c(OC)c3)c3cccc(c23)C1=O
InChIInChI=1S/C23H20O5/c1-25-18-10-13-8-9-15(16-6-5-7-17(21(13)16)22(18)24)14-11-19(26-2)23(28-4)20(12-14)27-3/h5-12H,1-4H3
InChIKeyLVHPKRJROGUXDH-UHFFFAOYSA-N
MW376.41 g/mol
LogP4.72
Rot. Bonds5

About 2-methoxy-6-(3,4,5-trimethoxyphenyl)phenalen-1-one

2-methoxy-6-(3,4,5-trimethoxyphenyl)phenalen-1-one (PubChem CID 166453589) has the molecular formula C23H20O5 and a molecular weight of 376.41 g/mol. Its IUPAC name is 2-methoxy-6-(3,4,5-trimethoxyphenyl)phenalen-1-one.

Molecular Properties

Compound Name2-methoxy-6-(3,4,5-trimethoxyphenyl)phenalen-1-one
PubChem CID166453589
Molecular FormulaC23H20O5
Molecular Weight376.41 g/mol
Exact Mass376.13
IUPAC Name2-methoxy-6-(3,4,5-trimethoxyphenyl)phenalen-1-one
SMILESCOC1=Cc2ccc(-c3cc(OC)c(OC)c(OC)c3)c3cccc(c23)C1=O
InChIInChI=1S/C23H20O5/c1-25-18-10-13-8-9-15(16-6-5-7-17(21(13)16)22(18)24)14-11-19(26-2)23(28-4)20(12-14)27-3/h5-12H,1-4H3
InChIKeyLVHPKRJROGUXDH-UHFFFAOYSA-N
XLogP4.72
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-6-(3,4,5-trimethoxyphenyl)phenalen-1-one
CID 166453560
2,5,6-trimethoxy-9-phenylphenalen-1-one
CID 71356967
2-methoxypyrene-1,8-dione
CID 123167864
1,2,3-trimethoxy-5-[2-phenyl-6-(3,4,5-trimethoxyphenyl)phenyl]benzene
CID 174734654
7,8-dimethoxyphenalen-1-one
CID 10490203
2-(3,4,5-trimethoxyphenyl)-1-[2-(3,4,5-trimethoxyphenyl)naphthalen-1-yl]selenonylnaphthalene
CID 141321863
4-(4-hydroxyphenyl)-2-methoxyphenalen-1-one
CID 86190531
2,6-dibromophenalen-1-one
CID 13013281
2-methoxy-5-(3,4,5-trimethoxyphenyl)cyclohexa-2,5-diene-1,4-dione
CID 10638196
2-[3-(3,4,5-trimethoxyphenyl)phenyl]isoindole-1,3-dione
CID 168517559
10,11-dimethoxytetracyclo[7.7.1.02,8.013,17]heptadeca-1(16),2(8),3,6,9(17),10,12,14-octaen-5-one
CID 176586497
2,7,8-trimethoxynaphthalene-1,4-dione
CID 71387360

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-(3,4,5-trimethoxyphenyl)phenalen-1-one?
The IUPAC name of 2-methoxy-6-(3,4,5-trimethoxyphenyl)phenalen-1-one (CID 166453589) is 2-methoxy-6-(3,4,5-trimethoxyphenyl)phenalen-1-one.
What is the SMILES notation for 2-methoxy-6-(3,4,5-trimethoxyphenyl)phenalen-1-one?
The canonical SMILES for 2-methoxy-6-(3,4,5-trimethoxyphenyl)phenalen-1-one is COC1=Cc2ccc(-c3cc(OC)c(OC)c(OC)c3)c3cccc(c23)C1=O.
What is the InChIKey of 2-methoxy-6-(3,4,5-trimethoxyphenyl)phenalen-1-one?
The InChIKey is LVHPKRJROGUXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O5/c1-25-18-10-13-8-9-15(16-6-5-7-17(21(13)16)22(18)24)14-11-19(26-2)23(28-4)20(12-14)27-3/h5-12H,1-4H3.
What are the key properties of 2-methoxy-6-(3,4,5-trimethoxyphenyl)phenalen-1-one?
2-methoxy-6-(3,4,5-trimethoxyphenyl)phenalen-1-one has a molecular weight of 376.41 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-(3,4,5-trimethoxyphenyl)phenalen-1-one is sourced from PubChem (CID 166453589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).