5,7-dihydroxy-2-(4-methylphenyl)-3-[(2-methylpropan-2-yl)oxy]chromen-4-one

C20H20O5 — CID 152927752

IUPAC5,7-dihydroxy-2-(4-methylphenyl)-3-[(2-methylpropan-2-yl)oxy]chromen-4-one
SMILESCc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2OC(C)(C)C)cc1
InChIInChI=1S/C20H20O5/c1-11-5-7-12(8-6-11)18-19(25-20(2,3)4)17(23)16-14(22)9-13(21)10-15(16)24-18/h5-10,21-22H,1-4H3
InChIKeyUKIMULLCQDYRAX-UHFFFAOYSA-N
MW340.38 g/mol
LogP4.36
Rot. Bonds2

About 5,7-dihydroxy-2-(4-methylphenyl)-3-[(2-methylpropan-2-yl)oxy]chromen-4-one

5,7-dihydroxy-2-(4-methylphenyl)-3-[(2-methylpropan-2-yl)oxy]chromen-4-one (PubChem CID 152927752) has the molecular formula C20H20O5 and a molecular weight of 340.38 g/mol. Its IUPAC name is 5,7-dihydroxy-2-(4-methylphenyl)-3-[(2-methylpropan-2-yl)oxy]chromen-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-2-(4-methylphenyl)-3-[(2-methylpropan-2-yl)oxy]chromen-4-one
PubChem CID152927752
Molecular FormulaC20H20O5
Molecular Weight340.38 g/mol
Exact Mass340.13
IUPAC Name5,7-dihydroxy-2-(4-methylphenyl)-3-[(2-methylpropan-2-yl)oxy]chromen-4-one
SMILESCc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2OC(C)(C)C)cc1
InChIInChI=1S/C20H20O5/c1-11-5-7-12(8-6-11)18-19(25-20(2,3)4)17(23)16-14(22)9-13(21)10-15(16)24-18/h5-10,21-22H,1-4H3
InChIKeyUKIMULLCQDYRAX-UHFFFAOYSA-N
XLogP4.36
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2-methylpropan-2-yl)oxy]chromen-4-one
CID 139505378
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-4-one
CID 5280862
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-propan-2-yloxychromen-4-one
CID 139505486
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methylchromen-4-one
CID 15661821
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxychromen-4-one
CID 5380905
[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 42632254
3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one;zinc
CID 175939811
2-(3,4-difluorophenyl)-3-(3,3-dimethylbutoxy)-5,7-dihydroxychromen-4-one
CID 177252141
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-propoxychromen-4-one
CID 91669171
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
CID 89405710
[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl] 2-methylpropanoate
CID 5482939
3-butoxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
CID 118711941

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-2-(4-methylphenyl)-3-[(2-methylpropan-2-yl)oxy]chromen-4-one?
The IUPAC name of 5,7-dihydroxy-2-(4-methylphenyl)-3-[(2-methylpropan-2-yl)oxy]chromen-4-one (CID 152927752) is 5,7-dihydroxy-2-(4-methylphenyl)-3-[(2-methylpropan-2-yl)oxy]chromen-4-one.
What is the SMILES notation for 5,7-dihydroxy-2-(4-methylphenyl)-3-[(2-methylpropan-2-yl)oxy]chromen-4-one?
The canonical SMILES for 5,7-dihydroxy-2-(4-methylphenyl)-3-[(2-methylpropan-2-yl)oxy]chromen-4-one is Cc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2OC(C)(C)C)cc1.
What is the InChIKey of 5,7-dihydroxy-2-(4-methylphenyl)-3-[(2-methylpropan-2-yl)oxy]chromen-4-one?
The InChIKey is UKIMULLCQDYRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O5/c1-11-5-7-12(8-6-11)18-19(25-20(2,3)4)17(23)16-14(22)9-13(21)10-15(16)24-18/h5-10,21-22H,1-4H3.
What are the key properties of 5,7-dihydroxy-2-(4-methylphenyl)-3-[(2-methylpropan-2-yl)oxy]chromen-4-one?
5,7-dihydroxy-2-(4-methylphenyl)-3-[(2-methylpropan-2-yl)oxy]chromen-4-one has a molecular weight of 340.38 g/mol, XLogP of 4.36, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-2-(4-methylphenyl)-3-[(2-methylpropan-2-yl)oxy]chromen-4-one is sourced from PubChem (CID 152927752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).