2,4-dihydroxy-3,5-dimethoxy-6-(4-methoxypyrimidin-2-yl)oxybenzoic acid

C14H14N2O8 — CID 91134436

IUPAC2,4-dihydroxy-3,5-dimethoxy-6-(4-methoxypyrimidin-2-yl)oxybenzoic acid
SMILESCOc1ccnc(Oc2c(OC)c(O)c(OC)c(O)c2C(=O)O)n1
InChIInChI=1S/C14H14N2O8/c1-21-6-4-5-15-14(16-6)24-10-7(13(19)20)8(17)11(22-2)9(18)12(10)23-3/h4-5,17-18H,1-3H3,(H,19,20)
InChIKeyDGPTZYBWJMNXQR-UHFFFAOYSA-N
MW338.27 g/mol
LogP1.40
Rot. Bonds6

About 2,4-dihydroxy-3,5-dimethoxy-6-(4-methoxypyrimidin-2-yl)oxybenzoic acid

2,4-dihydroxy-3,5-dimethoxy-6-(4-methoxypyrimidin-2-yl)oxybenzoic acid (PubChem CID 91134436) has the molecular formula C14H14N2O8 and a molecular weight of 338.27 g/mol. Its IUPAC name is 2,4-dihydroxy-3,5-dimethoxy-6-(4-methoxypyrimidin-2-yl)oxybenzoic acid.

Molecular Properties

Compound Name2,4-dihydroxy-3,5-dimethoxy-6-(4-methoxypyrimidin-2-yl)oxybenzoic acid
PubChem CID91134436
Molecular FormulaC14H14N2O8
Molecular Weight338.27 g/mol
Exact Mass338.08
IUPAC Name2,4-dihydroxy-3,5-dimethoxy-6-(4-methoxypyrimidin-2-yl)oxybenzoic acid
SMILESCOc1ccnc(Oc2c(OC)c(O)c(OC)c(O)c2C(=O)O)n1
InChIInChI=1S/C14H14N2O8/c1-21-6-4-5-15-14(16-6)24-10-7(13(19)20)8(17)11(22-2)9(18)12(10)23-3/h4-5,17-18H,1-3H3,(H,19,20)
InChIKeyDGPTZYBWJMNXQR-UHFFFAOYSA-N
XLogP1.40
TPSA140.46 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.27
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-3,5-dimethoxy-6-(4-methoxypyrimidin-2-yl)oxybenzoic acid?
The IUPAC name of 2,4-dihydroxy-3,5-dimethoxy-6-(4-methoxypyrimidin-2-yl)oxybenzoic acid (CID 91134436) is 2,4-dihydroxy-3,5-dimethoxy-6-(4-methoxypyrimidin-2-yl)oxybenzoic acid.
What is the SMILES notation for 2,4-dihydroxy-3,5-dimethoxy-6-(4-methoxypyrimidin-2-yl)oxybenzoic acid?
The canonical SMILES for 2,4-dihydroxy-3,5-dimethoxy-6-(4-methoxypyrimidin-2-yl)oxybenzoic acid is COc1ccnc(Oc2c(OC)c(O)c(OC)c(O)c2C(=O)O)n1.
What is the InChIKey of 2,4-dihydroxy-3,5-dimethoxy-6-(4-methoxypyrimidin-2-yl)oxybenzoic acid?
The InChIKey is DGPTZYBWJMNXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O8/c1-21-6-4-5-15-14(16-6)24-10-7(13(19)20)8(17)11(22-2)9(18)12(10)23-3/h4-5,17-18H,1-3H3,(H,19,20).
What are the key properties of 2,4-dihydroxy-3,5-dimethoxy-6-(4-methoxypyrimidin-2-yl)oxybenzoic acid?
2,4-dihydroxy-3,5-dimethoxy-6-(4-methoxypyrimidin-2-yl)oxybenzoic acid has a molecular weight of 338.27 g/mol, XLogP of 1.40, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-3,5-dimethoxy-6-(4-methoxypyrimidin-2-yl)oxybenzoic acid is sourced from PubChem (CID 91134436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).