4-methyl-2-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-6-ol

C17H19NO2 — CID 82229519

IUPAC4-methyl-2-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-6-ol
SMILESCc1ccc(CC2CN(C)c3cc(O)ccc3O2)cc1
InChIInChI=1S/C17H19NO2/c1-12-3-5-13(6-4-12)9-15-11-18(2)16-10-14(19)7-8-17(16)20-15/h3-8,10,15,19H,9,11H2,1-2H3
InChIKeyOEFJVFQPKDKUFC-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.14
Rot. Bonds2

About 4-methyl-2-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-6-ol

4-methyl-2-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-6-ol (PubChem CID 82229519) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 4-methyl-2-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-6-ol.

Molecular Properties

Compound Name4-methyl-2-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-6-ol
PubChem CID82229519
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name4-methyl-2-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-6-ol
SMILESCc1ccc(CC2CN(C)c3cc(O)ccc3O2)cc1
InChIInChI=1S/C17H19NO2/c1-12-3-5-13(6-4-12)9-15-11-18(2)16-10-14(19)7-8-17(16)20-15/h3-8,10,15,19H,9,11H2,1-2H3
InChIKeyOEFJVFQPKDKUFC-UHFFFAOYSA-N
XLogP3.14
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-[(3-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-7-ol
CID 82229536
2-[(3-fluorophenyl)methyl]-4-propyl-2,3-dihydro-1,4-benzoxazin-6-ol
CID 82229437
2-[(2-ethoxyphenyl)methyl]-4-methyl-2,3-dihydro-1,4-benzoxazin-7-ol
CID 82229534
(6-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine
CID 82276463
(6-bromo-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanol
CID 171370263
(2R)-2-(methoxymethyl)-4,7-dimethyl-2,3-dihydro-1,4-benzoxazine
CID 58740905
2-[(3,4-dimethylphenyl)methyl]-6-hydroxy-4-(2-hydroxyethyl)-1,4-benzoxazin-3-one
CID 82229345
(2S)-2-(methoxymethyl)-4,7-dimethyl-2,3-dihydro-1,4-benzoxazine;sulfane
CID 158856728
4,6-dimethyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 173096627
(4-methyl-2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzoxazin-2-yl)methanol
CID 139709225
2-[(2,3-dimethylphenyl)methyl]-4-ethyl-2,3-dihydro-1,4-benzoxazin-7-ol
CID 82229483
6-hydroxy-4-methyl-2-[(2-methylphenyl)methyl]-1,4-benzoxazin-3-one
CID 82229249

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-6-ol?
The IUPAC name of 4-methyl-2-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-6-ol (CID 82229519) is 4-methyl-2-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-6-ol.
What is the SMILES notation for 4-methyl-2-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-6-ol?
The canonical SMILES for 4-methyl-2-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-6-ol is Cc1ccc(CC2CN(C)c3cc(O)ccc3O2)cc1.
What is the InChIKey of 4-methyl-2-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-6-ol?
The InChIKey is OEFJVFQPKDKUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-12-3-5-13(6-4-12)9-15-11-18(2)16-10-14(19)7-8-17(16)20-15/h3-8,10,15,19H,9,11H2,1-2H3.
What are the key properties of 4-methyl-2-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-6-ol?
4-methyl-2-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-6-ol has a molecular weight of 269.34 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-6-ol is sourced from PubChem (CID 82229519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).