3-(2-hydroxyethyl)-6-methoxy-1,3-benzoxazine-2,4-dione

C11H11NO5 — CID 10082863

IUPAC3-(2-hydroxyethyl)-6-methoxy-1,3-benzoxazine-2,4-dione
SMILESCOc1ccc2oc(=O)n(CCO)c(=O)c2c1
InChIInChI=1S/C11H11NO5/c1-16-7-2-3-9-8(6-7)10(14)12(4-5-13)11(15)17-9/h2-3,6,13H,4-5H2,1H3
InChIKeyCJRMMOVJGZJVMV-UHFFFAOYSA-N
MW237.21 g/mol
LogP-0.04
Rot. Bonds3

About 3-(2-hydroxyethyl)-6-methoxy-1,3-benzoxazine-2,4-dione

3-(2-hydroxyethyl)-6-methoxy-1,3-benzoxazine-2,4-dione (PubChem CID 10082863) has the molecular formula C11H11NO5 and a molecular weight of 237.21 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-6-methoxy-1,3-benzoxazine-2,4-dione.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-6-methoxy-1,3-benzoxazine-2,4-dione
PubChem CID10082863
Molecular FormulaC11H11NO5
Molecular Weight237.21 g/mol
Exact Mass237.06
IUPAC Name3-(2-hydroxyethyl)-6-methoxy-1,3-benzoxazine-2,4-dione
SMILESCOc1ccc2oc(=O)n(CCO)c(=O)c2c1
InChIInChI=1S/C11H11NO5/c1-16-7-2-3-9-8(6-7)10(14)12(4-5-13)11(15)17-9/h2-3,6,13H,4-5H2,1H3
InChIKeyCJRMMOVJGZJVMV-UHFFFAOYSA-N
XLogP-0.04
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-6-methoxy-1,3-benzoxazine-2,4-dione?
The IUPAC name of 3-(2-hydroxyethyl)-6-methoxy-1,3-benzoxazine-2,4-dione (CID 10082863) is 3-(2-hydroxyethyl)-6-methoxy-1,3-benzoxazine-2,4-dione.
What is the SMILES notation for 3-(2-hydroxyethyl)-6-methoxy-1,3-benzoxazine-2,4-dione?
The canonical SMILES for 3-(2-hydroxyethyl)-6-methoxy-1,3-benzoxazine-2,4-dione is COc1ccc2oc(=O)n(CCO)c(=O)c2c1.
What is the InChIKey of 3-(2-hydroxyethyl)-6-methoxy-1,3-benzoxazine-2,4-dione?
The InChIKey is CJRMMOVJGZJVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO5/c1-16-7-2-3-9-8(6-7)10(14)12(4-5-13)11(15)17-9/h2-3,6,13H,4-5H2,1H3.
What are the key properties of 3-(2-hydroxyethyl)-6-methoxy-1,3-benzoxazine-2,4-dione?
3-(2-hydroxyethyl)-6-methoxy-1,3-benzoxazine-2,4-dione has a molecular weight of 237.21 g/mol, XLogP of -0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-6-methoxy-1,3-benzoxazine-2,4-dione is sourced from PubChem (CID 10082863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).