4-(2-hydroxyethyl)-2,3-dihydro-1,4-benzoxazin-8-ol

C10H13NO3 — CID 22448953

IUPAC4-(2-hydroxyethyl)-2,3-dihydro-1,4-benzoxazin-8-ol
SMILESOCCN1CCOc2c(O)cccc21
InChIInChI=1S/C10H13NO3/c12-6-4-11-5-7-14-10-8(11)2-1-3-9(10)13/h1-3,12-13H,4-7H2
InChIKeyDTCBDUVZOUASIH-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.58
Rot. Bonds2

About 4-(2-hydroxyethyl)-2,3-dihydro-1,4-benzoxazin-8-ol

4-(2-hydroxyethyl)-2,3-dihydro-1,4-benzoxazin-8-ol (PubChem CID 22448953) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-2,3-dihydro-1,4-benzoxazin-8-ol.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-2,3-dihydro-1,4-benzoxazin-8-ol
PubChem CID22448953
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name4-(2-hydroxyethyl)-2,3-dihydro-1,4-benzoxazin-8-ol
SMILESOCCN1CCOc2c(O)cccc21
InChIInChI=1S/C10H13NO3/c12-6-4-11-5-7-14-10-8(11)2-1-3-9(10)13/h1-3,12-13H,4-7H2
InChIKeyDTCBDUVZOUASIH-UHFFFAOYSA-N
XLogP0.58
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-2,3-dihydro-1,4-benzoxazin-8-ol?
The IUPAC name of 4-(2-hydroxyethyl)-2,3-dihydro-1,4-benzoxazin-8-ol (CID 22448953) is 4-(2-hydroxyethyl)-2,3-dihydro-1,4-benzoxazin-8-ol.
What is the SMILES notation for 4-(2-hydroxyethyl)-2,3-dihydro-1,4-benzoxazin-8-ol?
The canonical SMILES for 4-(2-hydroxyethyl)-2,3-dihydro-1,4-benzoxazin-8-ol is OCCN1CCOc2c(O)cccc21.
What is the InChIKey of 4-(2-hydroxyethyl)-2,3-dihydro-1,4-benzoxazin-8-ol?
The InChIKey is DTCBDUVZOUASIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c12-6-4-11-5-7-14-10-8(11)2-1-3-9(10)13/h1-3,12-13H,4-7H2.
What are the key properties of 4-(2-hydroxyethyl)-2,3-dihydro-1,4-benzoxazin-8-ol?
4-(2-hydroxyethyl)-2,3-dihydro-1,4-benzoxazin-8-ol has a molecular weight of 195.22 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-2,3-dihydro-1,4-benzoxazin-8-ol is sourced from PubChem (CID 22448953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).