2-(8-chloro-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanol

C11H14ClNO2 — CID 84625365

IUPAC2-(8-chloro-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanol
SMILESCC1Nc2cccc(Cl)c2OC1CCO
InChIInChI=1S/C11H14ClNO2/c1-7-10(5-6-14)15-11-8(12)3-2-4-9(11)13-7/h2-4,7,10,13-14H,5-6H2,1H3
InChIKeyFVIOQQHVRCDDHA-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.28
Rot. Bonds2

About 2-(8-chloro-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanol

2-(8-chloro-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanol (PubChem CID 84625365) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-(8-chloro-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanol.

Molecular Properties

Compound Name2-(8-chloro-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanol
PubChem CID84625365
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name2-(8-chloro-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanol
SMILESCC1Nc2cccc(Cl)c2OC1CCO
InChIInChI=1S/C11H14ClNO2/c1-7-10(5-6-14)15-11-8(12)3-2-4-9(11)13-7/h2-4,7,10,13-14H,5-6H2,1H3
InChIKeyFVIOQQHVRCDDHA-UHFFFAOYSA-N
XLogP2.28
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(8-chloro-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanol?
The IUPAC name of 2-(8-chloro-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanol (CID 84625365) is 2-(8-chloro-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanol.
What is the SMILES notation for 2-(8-chloro-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanol?
The canonical SMILES for 2-(8-chloro-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanol is CC1Nc2cccc(Cl)c2OC1CCO.
What is the InChIKey of 2-(8-chloro-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanol?
The InChIKey is FVIOQQHVRCDDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-7-10(5-6-14)15-11-8(12)3-2-4-9(11)13-7/h2-4,7,10,13-14H,5-6H2,1H3.
What are the key properties of 2-(8-chloro-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanol?
2-(8-chloro-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanol has a molecular weight of 227.69 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-chloro-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanol is sourced from PubChem (CID 84625365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).