3-(4-hydroxyphenyl)-7-[[3-(5H-tetrazol-5-yl)phenyl]methoxy]chromen-4-one

C23H16N4O4 — CID 67279126

IUPAC3-(4-hydroxyphenyl)-7-[[3-(5H-tetrazol-5-yl)phenyl]methoxy]chromen-4-one
SMILESO=c1c(-c2ccc(O)cc2)coc2cc(OCc3cccc(C4N=NN=N4)c3)ccc12
InChIInChI=1S/C23H16N4O4/c28-17-6-4-15(5-7-17)20-13-31-21-11-18(8-9-19(21)22(20)29)30-12-14-2-1-3-16(10-14)23-24-26-27-25-23/h1-11,13,23,28H,12H2
InChIKeyKOYURRCJKKYZAM-UHFFFAOYSA-N
MW412.41 g/mol
LogP5.58
Rot. Bonds5

About 3-(4-hydroxyphenyl)-7-[[3-(5H-tetrazol-5-yl)phenyl]methoxy]chromen-4-one

3-(4-hydroxyphenyl)-7-[[3-(5H-tetrazol-5-yl)phenyl]methoxy]chromen-4-one (PubChem CID 67279126) has the molecular formula C23H16N4O4 and a molecular weight of 412.41 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-7-[[3-(5H-tetrazol-5-yl)phenyl]methoxy]chromen-4-one.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-7-[[3-(5H-tetrazol-5-yl)phenyl]methoxy]chromen-4-one
PubChem CID67279126
Molecular FormulaC23H16N4O4
Molecular Weight412.41 g/mol
Exact Mass412.12
IUPAC Name3-(4-hydroxyphenyl)-7-[[3-(5H-tetrazol-5-yl)phenyl]methoxy]chromen-4-one
SMILESO=c1c(-c2ccc(O)cc2)coc2cc(OCc3cccc(C4N=NN=N4)c3)ccc12
InChIInChI=1S/C23H16N4O4/c28-17-6-4-15(5-7-17)20-13-31-21-11-18(8-9-19(21)22(20)29)30-12-14-2-1-3-16(10-14)23-24-26-27-25-23/h1-11,13,23,28H,12H2
InChIKeyKOYURRCJKKYZAM-UHFFFAOYSA-N
XLogP5.58
TPSA109.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.41
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 4-[[3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxymethyl]benzoate
CID 67279205
3-(4-bromophenyl)-7-[(3,4-dichlorophenyl)methoxy]chromen-4-one
CID 4627849
2-trimethylsilylethyl 3-[[3-(4-carbamoylphenyl)-4-oxochromen-7-yl]oxymethyl]benzoate
CID 42606495
3-[3-[[3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxymethyl]-1,2,4-oxadiazol-5-yl]benzoic acid
CID 24960991
3-(4-ethoxyphenyl)-7-hydroxychromen-4-one
CID 71406499
methyl 3-[[3-[4-(2-amino-2-oxoethoxy)phenyl]-4-oxochromen-7-yl]oxymethyl]benzoate
CID 42606143
N-[4-[7-[(3-cyanophenyl)methoxy]-4-oxochromen-3-yl]phenyl]-N-methylsulfonylmethanesulfonamide
CID 141240184
7-hex-5-enoxy-3-(4-hydroxyphenyl)chromen-4-one
CID 10925737
3-(4-bromophenyl)-7-[(4-methylphenyl)methoxy]chromen-4-one
CID 2013461
N-hydroxy-4-[(4-oxo-3-phenylchromen-7-yl)oxymethyl]benzeneamine oxide
CID 163174518
3-phenyl-7-(2-phenylethoxy)chromen-4-one
CID 23878926
Daidzein 7-Sulfate Potassium Salt
CID 169436996

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-7-[[3-(5H-tetrazol-5-yl)phenyl]methoxy]chromen-4-one?
The IUPAC name of 3-(4-hydroxyphenyl)-7-[[3-(5H-tetrazol-5-yl)phenyl]methoxy]chromen-4-one (CID 67279126) is 3-(4-hydroxyphenyl)-7-[[3-(5H-tetrazol-5-yl)phenyl]methoxy]chromen-4-one.
What is the SMILES notation for 3-(4-hydroxyphenyl)-7-[[3-(5H-tetrazol-5-yl)phenyl]methoxy]chromen-4-one?
The canonical SMILES for 3-(4-hydroxyphenyl)-7-[[3-(5H-tetrazol-5-yl)phenyl]methoxy]chromen-4-one is O=c1c(-c2ccc(O)cc2)coc2cc(OCc3cccc(C4N=NN=N4)c3)ccc12.
What is the InChIKey of 3-(4-hydroxyphenyl)-7-[[3-(5H-tetrazol-5-yl)phenyl]methoxy]chromen-4-one?
The InChIKey is KOYURRCJKKYZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O4/c28-17-6-4-15(5-7-17)20-13-31-21-11-18(8-9-19(21)22(20)29)30-12-14-2-1-3-16(10-14)23-24-26-27-25-23/h1-11,13,23,28H,12H2.
What are the key properties of 3-(4-hydroxyphenyl)-7-[[3-(5H-tetrazol-5-yl)phenyl]methoxy]chromen-4-one?
3-(4-hydroxyphenyl)-7-[[3-(5H-tetrazol-5-yl)phenyl]methoxy]chromen-4-one has a molecular weight of 412.41 g/mol, XLogP of 5.58, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-7-[[3-(5H-tetrazol-5-yl)phenyl]methoxy]chromen-4-one is sourced from PubChem (CID 67279126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).