6-acetyl-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one

C18H14O6 — CID 162875618

IUPAC6-acetyl-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one
SMILESCOc1ccc(-c2cc(=O)c3c(O)c(C(C)=O)c(O)cc3o2)cc1
InChIInChI=1S/C18H14O6/c1-9(19)16-12(20)8-15-17(18(16)22)13(21)7-14(24-15)10-3-5-11(23-2)6-4-10/h3-8,20,22H,1-2H3
InChIKeyKEZPHBGAJBKUJJ-UHFFFAOYSA-N
MW326.30 g/mol
LogP3.08
Rot. Bonds3

About 6-acetyl-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one

6-acetyl-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one (PubChem CID 162875618) has the molecular formula C18H14O6 and a molecular weight of 326.30 g/mol. Its IUPAC name is 6-acetyl-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name6-acetyl-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one
PubChem CID162875618
Molecular FormulaC18H14O6
Molecular Weight326.30 g/mol
Exact Mass326.08
IUPAC Name6-acetyl-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one
SMILESCOc1ccc(-c2cc(=O)c3c(O)c(C(C)=O)c(O)cc3o2)cc1
InChIInChI=1S/C18H14O6/c1-9(19)16-12(20)8-15-17(18(16)22)13(21)7-14(24-15)10-3-5-11(23-2)6-4-10/h3-8,20,22H,1-2H3
InChIKeyKEZPHBGAJBKUJJ-UHFFFAOYSA-N
XLogP3.08
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[5-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl] acetate
CID 24993131
[6-acetyl-5-acetyloxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl] acetate
CID 165344781
5,7-dihydroxy-6-[5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]-2-(4-methoxyphenyl)chromen-4-one
CID 162880668
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
CID 5281617
[5-methoxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl] acetate
CID 162873307
[4-(5,7-dihydroxy-6-methoxy-4-oxochromen-2-yl)phenyl] N,N-diethylcarbamate
CID 71483946
[4-(5,7-dihydroxy-6-methoxy-4-oxochromen-2-yl)phenyl] N-ethyl-N-methylcarbamate
CID 71483995
5,6-dihydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
CID 3084390
[4-(5,7-dihydroxy-6-methoxy-4-oxochromen-2-yl)phenyl] piperidine-1-carboxylate
CID 71483998
5,7-dihydroxy-6-methoxy-2-(4-methylsulfonylphenyl)chromen-4-one
CID 57405632
2-(4-chlorophenyl)-5,6,7-trihydroxychromen-4-one
CID 11426691
[4-(5,6,7-trihydroxy-4-oxochromen-2-yl)phenyl] 4-methylpiperazine-1-carboxylate
CID 122196268

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one?
The IUPAC name of 6-acetyl-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one (CID 162875618) is 6-acetyl-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one.
What is the SMILES notation for 6-acetyl-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one?
The canonical SMILES for 6-acetyl-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one is COc1ccc(-c2cc(=O)c3c(O)c(C(C)=O)c(O)cc3o2)cc1.
What is the InChIKey of 6-acetyl-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one?
The InChIKey is KEZPHBGAJBKUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O6/c1-9(19)16-12(20)8-15-17(18(16)22)13(21)7-14(24-15)10-3-5-11(23-2)6-4-10/h3-8,20,22H,1-2H3.
What are the key properties of 6-acetyl-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one?
6-acetyl-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one has a molecular weight of 326.30 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one is sourced from PubChem (CID 162875618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).