5-methoxy-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride

C9H12ClNO2 — CID 155822472

IUPAC5-methoxy-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride
SMILESCOc1cccc2c1NCCO2.Cl
InChIInChI=1S/C9H11NO2.ClH/c1-11-7-3-2-4-8-9(7)10-5-6-12-8;/h2-4,10H,5-6H2,1H3;1H
InChIKeyPWMQJFBAZBTGJY-UHFFFAOYSA-N
MW201.65 g/mol
LogP1.92
Rot. Bonds1

About 5-methoxy-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride

5-methoxy-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride (PubChem CID 155822472) has the molecular formula C9H12ClNO2 and a molecular weight of 201.65 g/mol. Its IUPAC name is 5-methoxy-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride.

Molecular Properties

Compound Name5-methoxy-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride
PubChem CID155822472
Molecular FormulaC9H12ClNO2
Molecular Weight201.65 g/mol
Exact Mass201.06
IUPAC Name5-methoxy-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride
SMILESCOc1cccc2c1NCCO2.Cl
InChIInChI=1S/C9H11NO2.ClH/c1-11-7-3-2-4-8-9(7)10-5-6-12-8;/h2-4,10H,5-6H2,1H3;1H
InChIKeyPWMQJFBAZBTGJY-UHFFFAOYSA-N
XLogP1.92
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.65
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride?
The IUPAC name of 5-methoxy-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride (CID 155822472) is 5-methoxy-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride.
What is the SMILES notation for 5-methoxy-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride?
The canonical SMILES for 5-methoxy-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride is COc1cccc2c1NCCO2.Cl.
What is the InChIKey of 5-methoxy-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride?
The InChIKey is PWMQJFBAZBTGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.ClH/c1-11-7-3-2-4-8-9(7)10-5-6-12-8;/h2-4,10H,5-6H2,1H3;1H.
What are the key properties of 5-methoxy-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride?
5-methoxy-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride has a molecular weight of 201.65 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride is sourced from PubChem (CID 155822472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).