2-(4-hydroxyphenyl)-8-methoxychromen-4-one

C16H12O4 — CID 11687621

IUPAC2-(4-hydroxyphenyl)-8-methoxychromen-4-one
SMILESCOc1cccc2c(=O)cc(-c3ccc(O)cc3)oc12
InChIInChI=1S/C16H12O4/c1-19-14-4-2-3-12-13(18)9-15(20-16(12)14)10-5-7-11(17)8-6-10/h2-9,17H,1H3
InChIKeyDTWULIYFYHYMLF-UHFFFAOYSA-N
MW268.27 g/mol
LogP3.17
Rot. Bonds2

About 2-(4-hydroxyphenyl)-8-methoxychromen-4-one

2-(4-hydroxyphenyl)-8-methoxychromen-4-one (PubChem CID 11687621) has the molecular formula C16H12O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-8-methoxychromen-4-one.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-8-methoxychromen-4-one
PubChem CID11687621
Molecular FormulaC16H12O4
Molecular Weight268.27 g/mol
Exact Mass268.07
IUPAC Name2-(4-hydroxyphenyl)-8-methoxychromen-4-one
SMILESCOc1cccc2c(=O)cc(-c3ccc(O)cc3)oc12
InChIInChI=1S/C16H12O4/c1-19-14-4-2-3-12-13(18)9-15(20-16(12)14)10-5-7-11(17)8-6-10/h2-9,17H,1H3
InChIKeyDTWULIYFYHYMLF-UHFFFAOYSA-N
XLogP3.17
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-hydroxyphenyl)-8-methylchromen-4-one
CID 24721527
8-chloro-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one
CID 154647308
7-hydroxy-8-[[7-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]methyl]-2-(4-methoxyphenyl)chromen-4-one
CID 91431770
6,8-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
CID 59800838
5,6-dihydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
CID 3084390
8-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-8-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
CID 165429824
7-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-olate
CID 164575986
(10S)-10-(2,3-dimethoxyphenyl)-5-hydroxy-2-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 99995119
sodium 2-[4-oxo-2-(3,4,5-trimethoxyphenyl)chromen-8-yl]acetate
CID 102329160
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-8-propan-2-ylchromen-4-one
CID 162943028
8-chloro-7-cyclopropyl-2-(4-hydroxyphenyl)chromen-4-one
CID 155894878
2-(2,3-dimethoxyphenyl)-7-hydroxychromen-4-one
CID 127031650

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-8-methoxychromen-4-one?
The IUPAC name of 2-(4-hydroxyphenyl)-8-methoxychromen-4-one (CID 11687621) is 2-(4-hydroxyphenyl)-8-methoxychromen-4-one.
What is the SMILES notation for 2-(4-hydroxyphenyl)-8-methoxychromen-4-one?
The canonical SMILES for 2-(4-hydroxyphenyl)-8-methoxychromen-4-one is COc1cccc2c(=O)cc(-c3ccc(O)cc3)oc12.
What is the InChIKey of 2-(4-hydroxyphenyl)-8-methoxychromen-4-one?
The InChIKey is DTWULIYFYHYMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O4/c1-19-14-4-2-3-12-13(18)9-15(20-16(12)14)10-5-7-11(17)8-6-10/h2-9,17H,1H3.
What are the key properties of 2-(4-hydroxyphenyl)-8-methoxychromen-4-one?
2-(4-hydroxyphenyl)-8-methoxychromen-4-one has a molecular weight of 268.27 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-8-methoxychromen-4-one is sourced from PubChem (CID 11687621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).