3-(2-hydroxy-4-methoxyphenyl)-4H-chromene-2,4,7-triol

C16H14O6 — CID 163039730

IUPAC3-(2-hydroxy-4-methoxyphenyl)-4H-chromene-2,4,7-triol
SMILESCOc1ccc(C2=C(O)Oc3cc(O)ccc3C2O)c(O)c1
InChIInChI=1S/C16H14O6/c1-21-9-3-5-10(12(18)7-9)14-15(19)11-4-2-8(17)6-13(11)22-16(14)20/h2-7,15,17-20H,1H3
InChIKeyWLXXVDGFMDTXNJ-UHFFFAOYSA-N
MW302.28 g/mol
LogP2.46
Rot. Bonds2

About 3-(2-hydroxy-4-methoxyphenyl)-4H-chromene-2,4,7-triol

3-(2-hydroxy-4-methoxyphenyl)-4H-chromene-2,4,7-triol (PubChem CID 163039730) has the molecular formula C16H14O6 and a molecular weight of 302.28 g/mol. Its IUPAC name is 3-(2-hydroxy-4-methoxyphenyl)-4H-chromene-2,4,7-triol.

Molecular Properties

Compound Name3-(2-hydroxy-4-methoxyphenyl)-4H-chromene-2,4,7-triol
PubChem CID163039730
Molecular FormulaC16H14O6
Molecular Weight302.28 g/mol
Exact Mass302.08
IUPAC Name3-(2-hydroxy-4-methoxyphenyl)-4H-chromene-2,4,7-triol
SMILESCOc1ccc(C2=C(O)Oc3cc(O)ccc3C2O)c(O)c1
InChIInChI=1S/C16H14O6/c1-21-9-3-5-10(12(18)7-9)14-15(19)11-4-2-8(17)6-13(11)22-16(14)20/h2-7,15,17-20H,1H3
InChIKeyWLXXVDGFMDTXNJ-UHFFFAOYSA-N
XLogP2.46
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 52.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-4-methoxyphenyl)-4H-chromene-2,4,7-triol?
The IUPAC name of 3-(2-hydroxy-4-methoxyphenyl)-4H-chromene-2,4,7-triol (CID 163039730) is 3-(2-hydroxy-4-methoxyphenyl)-4H-chromene-2,4,7-triol.
What is the SMILES notation for 3-(2-hydroxy-4-methoxyphenyl)-4H-chromene-2,4,7-triol?
The canonical SMILES for 3-(2-hydroxy-4-methoxyphenyl)-4H-chromene-2,4,7-triol is COc1ccc(C2=C(O)Oc3cc(O)ccc3C2O)c(O)c1.
What is the InChIKey of 3-(2-hydroxy-4-methoxyphenyl)-4H-chromene-2,4,7-triol?
The InChIKey is WLXXVDGFMDTXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O6/c1-21-9-3-5-10(12(18)7-9)14-15(19)11-4-2-8(17)6-13(11)22-16(14)20/h2-7,15,17-20H,1H3.
What are the key properties of 3-(2-hydroxy-4-methoxyphenyl)-4H-chromene-2,4,7-triol?
3-(2-hydroxy-4-methoxyphenyl)-4H-chromene-2,4,7-triol has a molecular weight of 302.28 g/mol, XLogP of 2.46, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-4-methoxyphenyl)-4H-chromene-2,4,7-triol is sourced from PubChem (CID 163039730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).