2,5,6-trimethoxy-2-phenyl-3H-chromen-4-one

C18H18O5 — CID 161109582

IUPAC2,5,6-trimethoxy-2-phenyl-3H-chromen-4-one
SMILESCOc1ccc2c(c1OC)C(=O)CC(OC)(c1ccccc1)O2
InChIInChI=1S/C18H18O5/c1-20-15-10-9-14-16(17(15)21-2)13(19)11-18(22-3,23-14)12-7-5-4-6-8-12/h4-10H,11H2,1-3H3
InChIKeyUJMZHCJWOXWLEF-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.17
Rot. Bonds4

About 2,5,6-trimethoxy-2-phenyl-3H-chromen-4-one

2,5,6-trimethoxy-2-phenyl-3H-chromen-4-one (PubChem CID 161109582) has the molecular formula C18H18O5 and a molecular weight of 314.34 g/mol. Its IUPAC name is 2,5,6-trimethoxy-2-phenyl-3H-chromen-4-one.

Molecular Properties

Compound Name2,5,6-trimethoxy-2-phenyl-3H-chromen-4-one
PubChem CID161109582
Molecular FormulaC18H18O5
Molecular Weight314.34 g/mol
Exact Mass314.12
IUPAC Name2,5,6-trimethoxy-2-phenyl-3H-chromen-4-one
SMILESCOc1ccc2c(c1OC)C(=O)CC(OC)(c1ccccc1)O2
InChIInChI=1S/C18H18O5/c1-20-15-10-9-14-16(17(15)21-2)13(19)11-18(22-3,23-14)12-7-5-4-6-8-12/h4-10H,11H2,1-3H3
InChIKeyUJMZHCJWOXWLEF-UHFFFAOYSA-N
XLogP3.17
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-hydroxy-2-methoxy-2-phenyl-3H-chromen-4-one
CID 174473612
2-(3,4-dimethoxyphenyl)-2,5,6,7,8-pentamethoxy-3H-chromen-4-one
CID 139980177
5-methoxy-2,2-dimethyl-3H-chromen-4-one
CID 11790374
5,7-dimethoxy-2-(3-methoxyphenyl)-2-phenyl-3H-chromen-4-one
CID 172559489
3-hydroxy-2,6,7-trimethoxy-3-phenylisoindol-1-one
CID 141336383
6,7-dimethoxy-2,3-dihydroinden-1-one
CID 15292475
(2S)-2,5-dihydroxy-7-methoxy-8-methyl-2-phenyl-3H-chromen-4-one
CID 102062188
2,2-dimethyl-5-[(2,3,6-trimethoxyphenyl)methylidene]-1,3-dioxane-4,6-dione
CID 168597747
1,2-dimethoxybiphenylene;isocyanic acid
CID 87379313
7-methoxy-3,3-diphenylbenzo[f]chromene
CID 18954870
2-(7,8-dimethoxy-2-methyl-4-oxo-3H-chromen-2-yl)acetic acid
CID 75357275
5,6-dimethoxy-2,2-diphenyl-3,9-dihydrocyclopenta[b]naphthalene
CID 175339751

Frequently Asked Questions

What is the IUPAC name of 2,5,6-trimethoxy-2-phenyl-3H-chromen-4-one?
The IUPAC name of 2,5,6-trimethoxy-2-phenyl-3H-chromen-4-one (CID 161109582) is 2,5,6-trimethoxy-2-phenyl-3H-chromen-4-one.
What is the SMILES notation for 2,5,6-trimethoxy-2-phenyl-3H-chromen-4-one?
The canonical SMILES for 2,5,6-trimethoxy-2-phenyl-3H-chromen-4-one is COc1ccc2c(c1OC)C(=O)CC(OC)(c1ccccc1)O2.
What is the InChIKey of 2,5,6-trimethoxy-2-phenyl-3H-chromen-4-one?
The InChIKey is UJMZHCJWOXWLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O5/c1-20-15-10-9-14-16(17(15)21-2)13(19)11-18(22-3,23-14)12-7-5-4-6-8-12/h4-10H,11H2,1-3H3.
What are the key properties of 2,5,6-trimethoxy-2-phenyl-3H-chromen-4-one?
2,5,6-trimethoxy-2-phenyl-3H-chromen-4-one has a molecular weight of 314.34 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trimethoxy-2-phenyl-3H-chromen-4-one is sourced from PubChem (CID 161109582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).