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

C17H19NO2 — CID 82229536

IUPAC4-methyl-2-[(3-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-7-ol
SMILESCc1cccc(CC2CN(C)c3ccc(O)cc3O2)c1
InChIInChI=1S/C17H19NO2/c1-12-4-3-5-13(8-12)9-15-11-18(2)16-7-6-14(19)10-17(16)20-15/h3-8,10,15,19H,9,11H2,1-2H3
InChIKeyBNXOOWIMPVNZRS-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.14
Rot. Bonds2

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

4-methyl-2-[(3-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-7-ol (PubChem CID 82229536) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 4-methyl-2-[(3-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-7-ol.

Molecular Properties

Compound Name4-methyl-2-[(3-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-7-ol
PubChem CID82229536
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name4-methyl-2-[(3-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-7-ol
SMILESCc1cccc(CC2CN(C)c3ccc(O)cc3O2)c1
InChIInChI=1S/C17H19NO2/c1-12-4-3-5-13(8-12)9-15-11-18(2)16-7-6-14(19)10-17(16)20-15/h3-8,10,15,19H,9,11H2,1-2H3
InChIKeyBNXOOWIMPVNZRS-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-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-6-ol
CID 82229519
2-[(3-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazin-7-ol
CID 82228787
2-[(2-ethoxyphenyl)methyl]-4-methyl-2,3-dihydro-1,4-benzoxazin-7-ol
CID 82229534
7-hydroxy-2-[(3-methylphenyl)methyl]-4-(2-methylprop-2-enyl)-1,4-benzoxazin-3-one
CID 82229366
2-[(3-fluorophenyl)methyl]-4-propyl-2,3-dihydro-1,4-benzoxazin-6-ol
CID 82229437
2-[(2,3-dimethylphenyl)methyl]-4-ethyl-2,3-dihydro-1,4-benzoxazin-7-ol
CID 82229483
[5-[(3-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine
CID 115061563
2-[(3-chlorophenyl)methyl]-7-hydroxy-4-methyl-1,4-benzoxazin-3-one
CID 82229236
2-[(2-propan-2-ylphenyl)methyl]-4-prop-2-enyl-2,3-dihydro-1,4-benzoxazin-7-ol
CID 82229432
5-[[4-[(4,7-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride
CID 139709216
(2R)-7-chloro-2-(methoxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine
CID 58628151
(6-bromo-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanol
CID 171370263

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(3-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-7-ol?
The IUPAC name of 4-methyl-2-[(3-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-7-ol (CID 82229536) is 4-methyl-2-[(3-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-7-ol.
What is the SMILES notation for 4-methyl-2-[(3-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-7-ol?
The canonical SMILES for 4-methyl-2-[(3-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-7-ol is Cc1cccc(CC2CN(C)c3ccc(O)cc3O2)c1.
What is the InChIKey of 4-methyl-2-[(3-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-7-ol?
The InChIKey is BNXOOWIMPVNZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-12-4-3-5-13(8-12)9-15-11-18(2)16-7-6-14(19)10-17(16)20-15/h3-8,10,15,19H,9,11H2,1-2H3.
What are the key properties of 4-methyl-2-[(3-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-7-ol?
4-methyl-2-[(3-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-7-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-[(3-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-7-ol is sourced from PubChem (CID 82229536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).