3,4-dihydro-2H-1,4-benzoxazin-6-ol;hydrochloride

C8H10ClNO2 — CID 45074813

IUPAC3,4-dihydro-2H-1,4-benzoxazin-6-ol;hydrochloride
SMILESCl.Oc1ccc2c(c1)NCCO2
InChIInChI=1S/C8H9NO2.ClH/c10-6-1-2-8-7(5-6)9-3-4-11-8;/h1-2,5,9-10H,3-4H2;1H
InChIKeyGQUONSJRMSKBGP-UHFFFAOYSA-N
MW187.63 g/mol
LogP1.62
Rot. Bonds

About 3,4-dihydro-2H-1,4-benzoxazin-6-ol;hydrochloride

3,4-dihydro-2H-1,4-benzoxazin-6-ol;hydrochloride (PubChem CID 45074813) has the molecular formula C8H10ClNO2 and a molecular weight of 187.63 g/mol. Its IUPAC name is 3,4-dihydro-2H-1,4-benzoxazin-6-ol;hydrochloride.

Molecular Properties

Compound Name3,4-dihydro-2H-1,4-benzoxazin-6-ol;hydrochloride
PubChem CID45074813
Molecular FormulaC8H10ClNO2
Molecular Weight187.63 g/mol
Exact Mass187.04
IUPAC Name3,4-dihydro-2H-1,4-benzoxazin-6-ol;hydrochloride
SMILESCl.Oc1ccc2c(c1)NCCO2
InChIInChI=1S/C8H9NO2.ClH/c10-6-1-2-8-7(5-6)9-3-4-11-8;/h1-2,5,9-10H,3-4H2;1H
InChIKeyGQUONSJRMSKBGP-UHFFFAOYSA-N
XLogP1.62
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-1,4-benzoxazin-6-ol;hydrochloride?
The IUPAC name of 3,4-dihydro-2H-1,4-benzoxazin-6-ol;hydrochloride (CID 45074813) is 3,4-dihydro-2H-1,4-benzoxazin-6-ol;hydrochloride.
What is the SMILES notation for 3,4-dihydro-2H-1,4-benzoxazin-6-ol;hydrochloride?
The canonical SMILES for 3,4-dihydro-2H-1,4-benzoxazin-6-ol;hydrochloride is Cl.Oc1ccc2c(c1)NCCO2.
What is the InChIKey of 3,4-dihydro-2H-1,4-benzoxazin-6-ol;hydrochloride?
The InChIKey is GQUONSJRMSKBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2.ClH/c10-6-1-2-8-7(5-6)9-3-4-11-8;/h1-2,5,9-10H,3-4H2;1H.
What are the key properties of 3,4-dihydro-2H-1,4-benzoxazin-6-ol;hydrochloride?
3,4-dihydro-2H-1,4-benzoxazin-6-ol;hydrochloride has a molecular weight of 187.63 g/mol, XLogP of 1.62, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-1,4-benzoxazin-6-ol;hydrochloride is sourced from PubChem (CID 45074813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).