5,7-dihydroxy-2-(4-hydroxyphenyl)-3-propan-2-yloxychromen-4-one

C18H16O6 — CID 139505486

IUPAC5,7-dihydroxy-2-(4-hydroxyphenyl)-3-propan-2-yloxychromen-4-one
SMILESCC(C)Oc1c(-c2ccc(O)cc2)oc2cc(O)cc(O)c2c1=O
InChIInChI=1S/C18H16O6/c1-9(2)23-18-16(22)15-13(21)7-12(20)8-14(15)24-17(18)10-3-5-11(19)6-4-10/h3-9,19-21H,1-2H3
InChIKeyBPKAVABJASQZFT-UHFFFAOYSA-N
MW328.32 g/mol
LogP3.36
Rot. Bonds3

About 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-propan-2-yloxychromen-4-one

5,7-dihydroxy-2-(4-hydroxyphenyl)-3-propan-2-yloxychromen-4-one (PubChem CID 139505486) has the molecular formula C18H16O6 and a molecular weight of 328.32 g/mol. Its IUPAC name is 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-propan-2-yloxychromen-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-2-(4-hydroxyphenyl)-3-propan-2-yloxychromen-4-one
PubChem CID139505486
Molecular FormulaC18H16O6
Molecular Weight328.32 g/mol
Exact Mass328.09
IUPAC Name5,7-dihydroxy-2-(4-hydroxyphenyl)-3-propan-2-yloxychromen-4-one
SMILESCC(C)Oc1c(-c2ccc(O)cc2)oc2cc(O)cc(O)c2c1=O
InChIInChI=1S/C18H16O6/c1-9(2)23-18-16(22)15-13(21)7-12(20)8-14(15)24-17(18)10-3-5-11(19)6-4-10/h3-9,19-21H,1-2H3
InChIKeyBPKAVABJASQZFT-UHFFFAOYSA-N
XLogP3.36
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5,7-dihydroxy-3-propan-2-yloxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
CID 171457615
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-4-one
CID 5280862
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2-methylpropan-2-yl)oxy]chromen-4-one
CID 139505378
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methylchromen-4-one
CID 15661821
5,7-dihydroxy-2-(4-methylphenyl)-3-[(2-methylpropan-2-yl)oxy]chromen-4-one
CID 152927752
3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one;zinc
CID 175939811
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxychromen-4-one
CID 5380905
[(3R)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxy-2-methylheptyl] 3,4,5-trihydroxybenzoate
CID 89075920
[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl] 2-methylpropanoate
CID 5482939
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
CID 89405710
[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl] (2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoate
CID 87188958
5-hydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-4-one
CID 14269668

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-propan-2-yloxychromen-4-one?
The IUPAC name of 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-propan-2-yloxychromen-4-one (CID 139505486) is 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-propan-2-yloxychromen-4-one.
What is the SMILES notation for 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-propan-2-yloxychromen-4-one?
The canonical SMILES for 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-propan-2-yloxychromen-4-one is CC(C)Oc1c(-c2ccc(O)cc2)oc2cc(O)cc(O)c2c1=O.
What is the InChIKey of 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-propan-2-yloxychromen-4-one?
The InChIKey is BPKAVABJASQZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O6/c1-9(2)23-18-16(22)15-13(21)7-12(20)8-14(15)24-17(18)10-3-5-11(19)6-4-10/h3-9,19-21H,1-2H3.
What are the key properties of 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-propan-2-yloxychromen-4-one?
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-propan-2-yloxychromen-4-one has a molecular weight of 328.32 g/mol, XLogP of 3.36, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-propan-2-yloxychromen-4-one is sourced from PubChem (CID 139505486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).