5-hydroxy-3,7-dimethoxy-2-phenylchromen-4-one

C34H28O10 — CID 139068259

IUPAC5-hydroxy-3,7-dimethoxy-2-phenylchromen-4-one
SMILESCOc1cc(O)c2c(=O)c(OC)c(-c3ccccc3)oc2c1.COc1cc(O)c2c(=O)c(OC)c(-c3ccccc3)oc2c1
InChIInChI=1S/2C17H14O5/c2*1-20-11-8-12(18)14-13(9-11)22-16(17(21-2)15(14)19)10-6-4-3-5-7-10/h2*3-9,18H,1-2H3
InChIKeyPBLYOYWUSAUJPD-UHFFFAOYSA-N
MW596.59 g/mol
LogP6.37
Rot. Bonds6

About 5-hydroxy-3,7-dimethoxy-2-phenylchromen-4-one

5-hydroxy-3,7-dimethoxy-2-phenylchromen-4-one (PubChem CID 139068259) has the molecular formula C34H28O10 and a molecular weight of 596.59 g/mol. Its IUPAC name is 5-hydroxy-3,7-dimethoxy-2-phenylchromen-4-one.

Molecular Properties

Compound Name5-hydroxy-3,7-dimethoxy-2-phenylchromen-4-one
PubChem CID139068259
Molecular FormulaC34H28O10
Molecular Weight596.59 g/mol
Exact Mass596.17
IUPAC Name5-hydroxy-3,7-dimethoxy-2-phenylchromen-4-one
SMILESCOc1cc(O)c2c(=O)c(OC)c(-c3ccccc3)oc2c1.COc1cc(O)c2c(=O)c(OC)c(-c3ccccc3)oc2c1
InChIInChI=1S/2C17H14O5/c2*1-20-11-8-12(18)14-13(9-11)22-16(17(21-2)15(14)19)10-6-4-3-5-7-10/h2*3-9,18H,1-2H3
InChIKeyPBLYOYWUSAUJPD-UHFFFAOYSA-N
XLogP6.37
TPSA137.80 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.59
LogP ≤ 56.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

2-(3,4-dimethoxyphenyl)-5-hydroxy-3,7-dimethoxychromen-4-one;methoxymethane
CID 68984342
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-4-one
CID 5280862
2-(4-hydroxyphenyl)-3,5,7-trimethoxychromen-4-one
CID 14414499
2-(1,3-benzodioxol-5-yl)-5-hydroxy-3,7-dimethoxychromen-4-one
CID 5466137
5-hydroxy-3-methoxy-2-phenyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CID 74977993
5-hydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-4-one
CID 14269668
5-hydroxy-3-methoxy-7-phenylmethoxy-2-[3,4,5-tris(phenylmethoxy)phenyl]chromen-4-one
CID 142688399
3,5-dihydroxy-2-(3-hydroxy-2-methoxyphenyl)-7-methoxychromen-4-one
CID 11012936
3-methoxy-2-phenyl-5,7-bis(trimethylsilyloxy)chromen-4-one
CID 528819
5-hydroxy-7-methoxy-2-phenylchromen-4-one;2-phenylchromen-4-one
CID 161118058
5-hydroxy-7-methoxy-2-phenyl-3-[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
CID 162948451
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxychromen-4-one
CID 5380905

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3,7-dimethoxy-2-phenylchromen-4-one?
The IUPAC name of 5-hydroxy-3,7-dimethoxy-2-phenylchromen-4-one (CID 139068259) is 5-hydroxy-3,7-dimethoxy-2-phenylchromen-4-one.
What is the SMILES notation for 5-hydroxy-3,7-dimethoxy-2-phenylchromen-4-one?
The canonical SMILES for 5-hydroxy-3,7-dimethoxy-2-phenylchromen-4-one is COc1cc(O)c2c(=O)c(OC)c(-c3ccccc3)oc2c1.COc1cc(O)c2c(=O)c(OC)c(-c3ccccc3)oc2c1.
What is the InChIKey of 5-hydroxy-3,7-dimethoxy-2-phenylchromen-4-one?
The InChIKey is PBLYOYWUSAUJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H14O5/c2*1-20-11-8-12(18)14-13(9-11)22-16(17(21-2)15(14)19)10-6-4-3-5-7-10/h2*3-9,18H,1-2H3.
What are the key properties of 5-hydroxy-3,7-dimethoxy-2-phenylchromen-4-one?
5-hydroxy-3,7-dimethoxy-2-phenylchromen-4-one has a molecular weight of 596.59 g/mol, XLogP of 6.37, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3,7-dimethoxy-2-phenylchromen-4-one is sourced from PubChem (CID 139068259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).