2H-1,2-benzoxazine;ethane-1,2-diol

C10H13NO3 — CID 175297892

IUPAC2H-1,2-benzoxazine;ethane-1,2-diol
SMILESC1=Cc2ccccc2ON1.OCCO
InChIInChI=1S/C8H7NO.C2H6O2/c1-2-4-8-7(3-1)5-6-9-10-8;3-1-2-4/h1-6,9H;3-4H,1-2H2
InChIKeyRBPQCMLHKNHVQM-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.53
Rot. Bonds1

About 2H-1,2-benzoxazine;ethane-1,2-diol

2H-1,2-benzoxazine;ethane-1,2-diol (PubChem CID 175297892) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2H-1,2-benzoxazine;ethane-1,2-diol.

Molecular Properties

Compound Name2H-1,2-benzoxazine;ethane-1,2-diol
PubChem CID175297892
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name2H-1,2-benzoxazine;ethane-1,2-diol
SMILESC1=Cc2ccccc2ON1.OCCO
InChIInChI=1S/C8H7NO.C2H6O2/c1-2-4-8-7(3-1)5-6-9-10-8;3-1-2-4/h1-6,9H;3-4H,1-2H2
InChIKeyRBPQCMLHKNHVQM-UHFFFAOYSA-N
XLogP0.53
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2H-1,2-benzoxazine;ethane-1,2-diol?
The IUPAC name of 2H-1,2-benzoxazine;ethane-1,2-diol (CID 175297892) is 2H-1,2-benzoxazine;ethane-1,2-diol.
What is the SMILES notation for 2H-1,2-benzoxazine;ethane-1,2-diol?
The canonical SMILES for 2H-1,2-benzoxazine;ethane-1,2-diol is C1=Cc2ccccc2ON1.OCCO.
What is the InChIKey of 2H-1,2-benzoxazine;ethane-1,2-diol?
The InChIKey is RBPQCMLHKNHVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO.C2H6O2/c1-2-4-8-7(3-1)5-6-9-10-8;3-1-2-4/h1-6,9H;3-4H,1-2H2.
What are the key properties of 2H-1,2-benzoxazine;ethane-1,2-diol?
2H-1,2-benzoxazine;ethane-1,2-diol has a molecular weight of 195.22 g/mol, XLogP of 0.53, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-1,2-benzoxazine;ethane-1,2-diol is sourced from PubChem (CID 175297892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).