[5-methoxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl] acetate

C19H16O6 — CID 162873307

IUPAC[5-methoxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl] acetate
SMILESCOc1ccc(-c2cc(=O)c3c(OC)cc(OC(C)=O)cc3o2)cc1
InChIInChI=1S/C19H16O6/c1-11(20)24-14-8-17(23-3)19-15(21)10-16(25-18(19)9-14)12-4-6-13(22-2)7-5-12/h4-10H,1-3H3
InChIKeyXPNBARGKSYVSDT-UHFFFAOYSA-N
MW340.33 g/mol
LogP3.40
Rot. Bonds4

About [5-methoxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl] acetate

[5-methoxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl] acetate (PubChem CID 162873307) has the molecular formula C19H16O6 and a molecular weight of 340.33 g/mol. Its IUPAC name is [5-methoxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl] acetate.

Molecular Properties

Compound Name[5-methoxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl] acetate
PubChem CID162873307
Molecular FormulaC19H16O6
Molecular Weight340.33 g/mol
Exact Mass340.09
IUPAC Name[5-methoxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl] acetate
SMILESCOc1ccc(-c2cc(=O)c3c(OC)cc(OC(C)=O)cc3o2)cc1
InChIInChI=1S/C19H16O6/c1-11(20)24-14-8-17(23-3)19-15(21)10-16(25-18(19)9-14)12-4-6-13(22-2)7-5-12/h4-10H,1-3H3
InChIKeyXPNBARGKSYVSDT-UHFFFAOYSA-N
XLogP3.40
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[2-(3-acetyloxy-4-methoxyphenyl)-5-methoxy-4-oxochromen-7-yl] acetate
CID 163008395
[5-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl] acetate
CID 24993131
5,7-dimethoxy-2-(4-methylphenyl)chromen-4-one
CID 11623517
[6-acetyl-5-acetyloxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl] acetate
CID 165344781
2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromen-4-one
CID 158796402
[7,8-dimethoxy-2-(4-methoxyphenyl)-4-oxochromen-5-yl] acetate
CID 23259396
6-acetyl-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one
CID 162875618
2-[4-[3-(dimethylamino)propoxy]phenyl]-5,7-dimethoxychromen-4-one
CID 90681219
[2-(3,4-dimethoxyphenyl)-6,7-dimethoxy-4-oxochromen-5-yl] acetate
CID 12679339
[4-oxo-2-(3,4,5-trimethoxyphenyl)chromen-5-yl] acetate
CID 71413141
5,7-diethoxy-2-(4-ethoxyphenyl)chromen-4-one
CID 174788047
[4-oxo-2-phenyl-7-(trifluoromethylsulfonyloxy)chromen-5-yl] acetate
CID 10502628

Frequently Asked Questions

What is the IUPAC name of [5-methoxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl] acetate?
The IUPAC name of [5-methoxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl] acetate (CID 162873307) is [5-methoxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl] acetate.
What is the SMILES notation for [5-methoxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl] acetate?
The canonical SMILES for [5-methoxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl] acetate is COc1ccc(-c2cc(=O)c3c(OC)cc(OC(C)=O)cc3o2)cc1.
What is the InChIKey of [5-methoxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl] acetate?
The InChIKey is XPNBARGKSYVSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O6/c1-11(20)24-14-8-17(23-3)19-15(21)10-16(25-18(19)9-14)12-4-6-13(22-2)7-5-12/h4-10H,1-3H3.
What are the key properties of [5-methoxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl] acetate?
[5-methoxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl] acetate has a molecular weight of 340.33 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methoxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl] acetate is sourced from PubChem (CID 162873307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).