2-(4-hydroxy-3,5-dimethoxyphenyl)chromene-2,3,5,7-tetrol

C17H16O8 — CID 71413134

IUPAC2-(4-hydroxy-3,5-dimethoxyphenyl)chromene-2,3,5,7-tetrol
SMILESCOc1cc(C2(O)Oc3cc(O)cc(O)c3C=C2O)cc(OC)c1O
InChIInChI=1S/C17H16O8/c1-23-13-3-8(4-14(24-2)16(13)21)17(22)15(20)7-10-11(19)5-9(18)6-12(10)25-17/h3-7,18-22H,1-2H3
InChIKeyAVUDJRRBHDEMSG-UHFFFAOYSA-N
MW348.31 g/mol
LogP1.96
Rot. Bonds3

About 2-(4-hydroxy-3,5-dimethoxyphenyl)chromene-2,3,5,7-tetrol

2-(4-hydroxy-3,5-dimethoxyphenyl)chromene-2,3,5,7-tetrol (PubChem CID 71413134) has the molecular formula C17H16O8 and a molecular weight of 348.31 g/mol. Its IUPAC name is 2-(4-hydroxy-3,5-dimethoxyphenyl)chromene-2,3,5,7-tetrol.

Molecular Properties

Compound Name2-(4-hydroxy-3,5-dimethoxyphenyl)chromene-2,3,5,7-tetrol
PubChem CID71413134
Molecular FormulaC17H16O8
Molecular Weight348.31 g/mol
Exact Mass348.08
IUPAC Name2-(4-hydroxy-3,5-dimethoxyphenyl)chromene-2,3,5,7-tetrol
SMILESCOc1cc(C2(O)Oc3cc(O)cc(O)c3C=C2O)cc(OC)c1O
InChIInChI=1S/C17H16O8/c1-23-13-3-8(4-14(24-2)16(13)21)17(22)15(20)7-10-11(19)5-9(18)6-12(10)25-17/h3-7,18-22H,1-2H3
InChIKeyAVUDJRRBHDEMSG-UHFFFAOYSA-N
XLogP1.96
TPSA128.84 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.31
LogP ≤ 51.96
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-3,5-dimethoxyphenyl)chromene-2,3,5,7-tetrol?
The IUPAC name of 2-(4-hydroxy-3,5-dimethoxyphenyl)chromene-2,3,5,7-tetrol (CID 71413134) is 2-(4-hydroxy-3,5-dimethoxyphenyl)chromene-2,3,5,7-tetrol.
What is the SMILES notation for 2-(4-hydroxy-3,5-dimethoxyphenyl)chromene-2,3,5,7-tetrol?
The canonical SMILES for 2-(4-hydroxy-3,5-dimethoxyphenyl)chromene-2,3,5,7-tetrol is COc1cc(C2(O)Oc3cc(O)cc(O)c3C=C2O)cc(OC)c1O.
What is the InChIKey of 2-(4-hydroxy-3,5-dimethoxyphenyl)chromene-2,3,5,7-tetrol?
The InChIKey is AVUDJRRBHDEMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O8/c1-23-13-3-8(4-14(24-2)16(13)21)17(22)15(20)7-10-11(19)5-9(18)6-12(10)25-17/h3-7,18-22H,1-2H3.
What are the key properties of 2-(4-hydroxy-3,5-dimethoxyphenyl)chromene-2,3,5,7-tetrol?
2-(4-hydroxy-3,5-dimethoxyphenyl)chromene-2,3,5,7-tetrol has a molecular weight of 348.31 g/mol, XLogP of 1.96, 3 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-3,5-dimethoxyphenyl)chromene-2,3,5,7-tetrol is sourced from PubChem (CID 71413134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).