2-[(2,3-dimethylphenyl)methyl]-4-ethyl-2,3-dihydro-1,4-benzoxazin-7-ol

C19H23NO2 — CID 82229483

IUPAC2-[(2,3-dimethylphenyl)methyl]-4-ethyl-2,3-dihydro-1,4-benzoxazin-7-ol
SMILESCCN1CC(Cc2cccc(C)c2C)Oc2cc(O)ccc21
InChIInChI=1S/C19H23NO2/c1-4-20-12-17(10-15-7-5-6-13(2)14(15)3)22-19-11-16(21)8-9-18(19)20/h5-9,11,17,21H,4,10,12H2,1-3H3
InChIKeyDGDMBNAXYPJEHP-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.84
Rot. Bonds3

About 2-[(2,3-dimethylphenyl)methyl]-4-ethyl-2,3-dihydro-1,4-benzoxazin-7-ol

2-[(2,3-dimethylphenyl)methyl]-4-ethyl-2,3-dihydro-1,4-benzoxazin-7-ol (PubChem CID 82229483) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[(2,3-dimethylphenyl)methyl]-4-ethyl-2,3-dihydro-1,4-benzoxazin-7-ol.

Molecular Properties

Compound Name2-[(2,3-dimethylphenyl)methyl]-4-ethyl-2,3-dihydro-1,4-benzoxazin-7-ol
PubChem CID82229483
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name2-[(2,3-dimethylphenyl)methyl]-4-ethyl-2,3-dihydro-1,4-benzoxazin-7-ol
SMILESCCN1CC(Cc2cccc(C)c2C)Oc2cc(O)ccc21
InChIInChI=1S/C19H23NO2/c1-4-20-12-17(10-15-7-5-6-13(2)14(15)3)22-19-11-16(21)8-9-18(19)20/h5-9,11,17,21H,4,10,12H2,1-3H3
InChIKeyDGDMBNAXYPJEHP-UHFFFAOYSA-N
XLogP3.84
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethylphenyl)methyl]-4-ethyl-2,3-dihydro-1,4-benzoxazin-7-ol?
The IUPAC name of 2-[(2,3-dimethylphenyl)methyl]-4-ethyl-2,3-dihydro-1,4-benzoxazin-7-ol (CID 82229483) is 2-[(2,3-dimethylphenyl)methyl]-4-ethyl-2,3-dihydro-1,4-benzoxazin-7-ol.
What is the SMILES notation for 2-[(2,3-dimethylphenyl)methyl]-4-ethyl-2,3-dihydro-1,4-benzoxazin-7-ol?
The canonical SMILES for 2-[(2,3-dimethylphenyl)methyl]-4-ethyl-2,3-dihydro-1,4-benzoxazin-7-ol is CCN1CC(Cc2cccc(C)c2C)Oc2cc(O)ccc21.
What is the InChIKey of 2-[(2,3-dimethylphenyl)methyl]-4-ethyl-2,3-dihydro-1,4-benzoxazin-7-ol?
The InChIKey is DGDMBNAXYPJEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-4-20-12-17(10-15-7-5-6-13(2)14(15)3)22-19-11-16(21)8-9-18(19)20/h5-9,11,17,21H,4,10,12H2,1-3H3.
What are the key properties of 2-[(2,3-dimethylphenyl)methyl]-4-ethyl-2,3-dihydro-1,4-benzoxazin-7-ol?
2-[(2,3-dimethylphenyl)methyl]-4-ethyl-2,3-dihydro-1,4-benzoxazin-7-ol has a molecular weight of 297.40 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethylphenyl)methyl]-4-ethyl-2,3-dihydro-1,4-benzoxazin-7-ol is sourced from PubChem (CID 82229483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).