[5-(2-hydroxyethoxycarbonyloxy)-4-(2-methoxyphenyl)-2,6-dimethyl-3-pyridinyl] methyl carbonate

C19H21NO8 — CID 70473809

IUPAC[5-(2-hydroxyethoxycarbonyloxy)-4-(2-methoxyphenyl)-2,6-dimethyl-3-pyridinyl] methyl carbonate
SMILESCOC(=O)Oc1c(C)nc(C)c(OC(=O)OCCO)c1-c1ccccc1OC
InChIInChI=1S/C19H21NO8/c1-11-16(27-18(22)25-4)15(13-7-5-6-8-14(13)24-3)17(12(2)20-11)28-19(23)26-10-9-21/h5-8,21H,9-10H2,1-4H3
InChIKeyYBBJNKMLJCZHBY-UHFFFAOYSA-N
MW391.38 g/mol
LogP3.03
Rot. Bonds6

About [5-(2-hydroxyethoxycarbonyloxy)-4-(2-methoxyphenyl)-2,6-dimethyl-3-pyridinyl] methyl carbonate

[5-(2-hydroxyethoxycarbonyloxy)-4-(2-methoxyphenyl)-2,6-dimethyl-3-pyridinyl] methyl carbonate (PubChem CID 70473809) has the molecular formula C19H21NO8 and a molecular weight of 391.38 g/mol. Its IUPAC name is [5-(2-hydroxyethoxycarbonyloxy)-4-(2-methoxyphenyl)-2,6-dimethyl-3-pyridinyl] methyl carbonate.

Molecular Properties

Compound Name[5-(2-hydroxyethoxycarbonyloxy)-4-(2-methoxyphenyl)-2,6-dimethyl-3-pyridinyl] methyl carbonate
PubChem CID70473809
Molecular FormulaC19H21NO8
Molecular Weight391.38 g/mol
Exact Mass391.13
IUPAC Name[5-(2-hydroxyethoxycarbonyloxy)-4-(2-methoxyphenyl)-2,6-dimethyl-3-pyridinyl] methyl carbonate
SMILESCOC(=O)Oc1c(C)nc(C)c(OC(=O)OCCO)c1-c1ccccc1OC
InChIInChI=1S/C19H21NO8/c1-11-16(27-18(22)25-4)15(13-7-5-6-8-14(13)24-3)17(12(2)20-11)28-19(23)26-10-9-21/h5-8,21H,9-10H2,1-4H3
InChIKeyYBBJNKMLJCZHBY-UHFFFAOYSA-N
XLogP3.03
TPSA113.41 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [5-(2-hydroxyethoxycarbonyloxy)-4-(2-methoxyphenyl)-2,6-dimethyl-3-pyridinyl] methyl carbonate?
The IUPAC name of [5-(2-hydroxyethoxycarbonyloxy)-4-(2-methoxyphenyl)-2,6-dimethyl-3-pyridinyl] methyl carbonate (CID 70473809) is [5-(2-hydroxyethoxycarbonyloxy)-4-(2-methoxyphenyl)-2,6-dimethyl-3-pyridinyl] methyl carbonate.
What is the SMILES notation for [5-(2-hydroxyethoxycarbonyloxy)-4-(2-methoxyphenyl)-2,6-dimethyl-3-pyridinyl] methyl carbonate?
The canonical SMILES for [5-(2-hydroxyethoxycarbonyloxy)-4-(2-methoxyphenyl)-2,6-dimethyl-3-pyridinyl] methyl carbonate is COC(=O)Oc1c(C)nc(C)c(OC(=O)OCCO)c1-c1ccccc1OC.
What is the InChIKey of [5-(2-hydroxyethoxycarbonyloxy)-4-(2-methoxyphenyl)-2,6-dimethyl-3-pyridinyl] methyl carbonate?
The InChIKey is YBBJNKMLJCZHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO8/c1-11-16(27-18(22)25-4)15(13-7-5-6-8-14(13)24-3)17(12(2)20-11)28-19(23)26-10-9-21/h5-8,21H,9-10H2,1-4H3.
What are the key properties of [5-(2-hydroxyethoxycarbonyloxy)-4-(2-methoxyphenyl)-2,6-dimethyl-3-pyridinyl] methyl carbonate?
[5-(2-hydroxyethoxycarbonyloxy)-4-(2-methoxyphenyl)-2,6-dimethyl-3-pyridinyl] methyl carbonate has a molecular weight of 391.38 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-hydroxyethoxycarbonyloxy)-4-(2-methoxyphenyl)-2,6-dimethyl-3-pyridinyl] methyl carbonate is sourced from PubChem (CID 70473809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).