5-hydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-4-one

C16H12O5 — CID 14269668

IUPAC5-hydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-4-one
SMILESCOc1c(-c2ccc(O)cc2)oc2cccc(O)c2c1=O
InChIInChI=1S/C16H12O5/c1-20-16-14(19)13-11(18)3-2-4-12(13)21-15(16)9-5-7-10(17)8-6-9/h2-8,17-18H,1H3
InChIKeyQDOUUXCKPIXLGJ-UHFFFAOYSA-N
MW284.27 g/mol
LogP2.88
Rot. Bonds2

About 5-hydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-4-one

5-hydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-4-one (PubChem CID 14269668) has the molecular formula C16H12O5 and a molecular weight of 284.27 g/mol. Its IUPAC name is 5-hydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-4-one.

Molecular Properties

Compound Name5-hydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-4-one
PubChem CID14269668
Molecular FormulaC16H12O5
Molecular Weight284.27 g/mol
Exact Mass284.07
IUPAC Name5-hydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-4-one
SMILESCOc1c(-c2ccc(O)cc2)oc2cccc(O)c2c1=O
InChIInChI=1S/C16H12O5/c1-20-16-14(19)13-11(18)3-2-4-12(13)21-15(16)9-5-7-10(17)8-6-9/h2-8,17-18H,1H3
InChIKeyQDOUUXCKPIXLGJ-UHFFFAOYSA-N
XLogP2.88
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-4-one
CID 5280862
3,5-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
CID 5393154
5-hydroxy-3,7-dimethoxy-2-phenylchromen-4-one
CID 139068259
2-(4-hydroxyphenyl)-3,5,7-trimethoxychromen-4-one
CID 14414499
2-(4-hydroxyphenyl)-3,6,7-trimethoxychromen-4-one
CID 123956955
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxychromen-4-one
CID 5380905
2-(3,4-dimethoxyphenyl)-5-hydroxy-3,7-dimethoxychromen-4-one;methoxymethane
CID 68984342
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2-methylpropan-2-yl)oxy]chromen-4-one
CID 139505378
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-propan-2-yloxychromen-4-one
CID 139505486
5-hydroxy-2-(4-hydroxyphenyl)-3-methoxy-7-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CID 162956924
5,7-dihydroxy-8-[(1S)-1-(4-hydroxyphenyl)ethyl]-3-methoxy-2-(4-methoxyphenyl)chromen-4-one
CID 163021194
3-methoxy-2-(4-methylphenyl)chromen-4-one
CID 139049420

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-4-one?
The IUPAC name of 5-hydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-4-one (CID 14269668) is 5-hydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-4-one.
What is the SMILES notation for 5-hydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-4-one?
The canonical SMILES for 5-hydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-4-one is COc1c(-c2ccc(O)cc2)oc2cccc(O)c2c1=O.
What is the InChIKey of 5-hydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-4-one?
The InChIKey is QDOUUXCKPIXLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O5/c1-20-16-14(19)13-11(18)3-2-4-12(13)21-15(16)9-5-7-10(17)8-6-9/h2-8,17-18H,1H3.
What are the key properties of 5-hydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-4-one?
5-hydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-4-one has a molecular weight of 284.27 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-4-one is sourced from PubChem (CID 14269668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).