7-methoxy-3-(4-methoxyphenyl)chromen-4-one

C17H14O4 — CID 46702269

IUPAC7-methoxy-3-(4-methoxyphenyl)chromen-4-one
SMILESCOc1ccc(-[13c]2[13cH]oc3cc(OC)ccc3[13c]2=O)cc1
InChIInChI=1S/C17H14O4/c1-19-12-5-3-11(4-6-12)15-10-21-16-9-13(20-2)7-8-14(16)17(15)18/h3-10H,1-2H3/i10+1,15+1,17+1
InChIKeyLPNBCGIVZXHHHO-RNXOINPYSA-N
MW285.27 g/mol
LogP3.48
Rot. Bonds3

About 7-methoxy-3-(4-methoxyphenyl)chromen-4-one

7-methoxy-3-(4-methoxyphenyl)chromen-4-one (PubChem CID 46702269) has the molecular formula C17H14O4 and a molecular weight of 285.27 g/mol. Its IUPAC name is 7-methoxy-3-(4-methoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name7-methoxy-3-(4-methoxyphenyl)chromen-4-one
PubChem CID46702269
Molecular FormulaC17H14O4
Molecular Weight285.27 g/mol
Exact Mass285.10
IUPAC Name7-methoxy-3-(4-methoxyphenyl)chromen-4-one
SMILESCOc1ccc(-[13c]2[13cH]oc3cc(OC)ccc3[13c]2=O)cc1
InChIInChI=1S/C17H14O4/c1-19-12-5-3-11(4-6-12)15-10-21-16-9-13(20-2)7-8-14(16)17(15)18/h3-10H,1-2H3/i10+1,15+1,17+1
InChIKeyLPNBCGIVZXHHHO-RNXOINPYSA-N
XLogP3.48
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)-7-(oxiran-2-ylmethoxy)chromen-4-one
CID 86618198
7-methoxy-3-(4-methoxyphenyl)-6-methylchromen-4-one
CID 57363360
3-(4-methoxyphenyl)-7-[(2R,3S,4R,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]oxychromen-4-one
CID 162818894
3-(4-methoxyphenyl)-7-(3,4,5,6-tetrahydroxyoxan-2-yl)oxychromen-4-one
CID 162818892
[3-(4-methoxyphenyl)-4-oxochromen-7-yl] pyrrolidine-1-carboxylate
CID 71664359
[4-(7-methoxy-4-oxochromen-3-yl)phenyl] octadecanoate
CID 46887096
2-(7-methoxy-4-oxochromen-3-yl)cyclohexa-2,5-diene-1,4-dione
CID 10493126
3-(4-chlorophenyl)-6-methoxy-1-benzofuran
CID 69171668
3-(4-chlorophenyl)-7-[2-(4-methoxyphenyl)-2-oxoethoxy]chromen-4-one
CID 2032343
7-methoxy-3-[4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
CID 162847847
N-hydroxy-4-[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxycarbonylbenzeneamine oxide
CID 163172406
7-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3-(4-methoxyphenyl)chromen-4-one
CID 167786969

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-(4-methoxyphenyl)chromen-4-one?
The IUPAC name of 7-methoxy-3-(4-methoxyphenyl)chromen-4-one (CID 46702269) is 7-methoxy-3-(4-methoxyphenyl)chromen-4-one.
What is the SMILES notation for 7-methoxy-3-(4-methoxyphenyl)chromen-4-one?
The canonical SMILES for 7-methoxy-3-(4-methoxyphenyl)chromen-4-one is COc1ccc(-[13c]2[13cH]oc3cc(OC)ccc3[13c]2=O)cc1.
What is the InChIKey of 7-methoxy-3-(4-methoxyphenyl)chromen-4-one?
The InChIKey is LPNBCGIVZXHHHO-RNXOINPYSA-N. The full InChI is InChI=1S/C17H14O4/c1-19-12-5-3-11(4-6-12)15-10-21-16-9-13(20-2)7-8-14(16)17(15)18/h3-10H,1-2H3/i10+1,15+1,17+1.
What are the key properties of 7-methoxy-3-(4-methoxyphenyl)chromen-4-one?
7-methoxy-3-(4-methoxyphenyl)chromen-4-one has a molecular weight of 285.27 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-(4-methoxyphenyl)chromen-4-one is sourced from PubChem (CID 46702269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).