2-[(2,3-dimethylphenyl)methyl]-6-hydroxy-4-methyl-1,4-benzoxazin-3-one

C18H19NO3 — CID 82229239

IUPAC2-[(2,3-dimethylphenyl)methyl]-6-hydroxy-4-methyl-1,4-benzoxazin-3-one
SMILESCc1cccc(CC2Oc3ccc(O)cc3N(C)C2=O)c1C
InChIInChI=1S/C18H19NO3/c1-11-5-4-6-13(12(11)2)9-17-18(21)19(3)15-10-14(20)7-8-16(15)22-17/h4-8,10,17,20H,9H2,1-3H3
InChIKeyJRVNDIJXZNBEKE-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.98
Rot. Bonds2

About 2-[(2,3-dimethylphenyl)methyl]-6-hydroxy-4-methyl-1,4-benzoxazin-3-one

2-[(2,3-dimethylphenyl)methyl]-6-hydroxy-4-methyl-1,4-benzoxazin-3-one (PubChem CID 82229239) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 2-[(2,3-dimethylphenyl)methyl]-6-hydroxy-4-methyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name2-[(2,3-dimethylphenyl)methyl]-6-hydroxy-4-methyl-1,4-benzoxazin-3-one
PubChem CID82229239
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name2-[(2,3-dimethylphenyl)methyl]-6-hydroxy-4-methyl-1,4-benzoxazin-3-one
SMILESCc1cccc(CC2Oc3ccc(O)cc3N(C)C2=O)c1C
InChIInChI=1S/C18H19NO3/c1-11-5-4-6-13(12(11)2)9-17-18(21)19(3)15-10-14(20)7-8-16(15)22-17/h4-8,10,17,20H,9H2,1-3H3
InChIKeyJRVNDIJXZNBEKE-UHFFFAOYSA-N
XLogP2.98
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-hydroxy-4-methyl-2-[(2-methylphenyl)methyl]-1,4-benzoxazin-3-one
CID 82229249
2-[(2-ethylphenyl)methyl]-6-hydroxy-4-methyl-1,4-benzoxazin-3-one
CID 82229238
2-[(2,3-dimethylphenyl)methyl]-7-hydroxy-4H-1,4-benzoxazin-3-one
CID 82228664
2-[(3-chlorophenyl)methyl]-7-hydroxy-4-methyl-1,4-benzoxazin-3-one
CID 82229236
2-[(3,4-dimethylphenyl)methyl]-6-hydroxy-4-(2-hydroxyethyl)-1,4-benzoxazin-3-one
CID 82229345
2-[(2,3-dimethylphenyl)methyl]-4-ethyl-2,3-dihydro-1,4-benzoxazin-7-ol
CID 82229483
2-(4,6-dimethyl-3-oxo-1,4-benzoxazin-2-yl)acetic acid
CID 82025526
7-amino-2-[(2,3-dimethylphenyl)methyl]-4H-1,4-benzoxazin-3-one
CID 82228625
4-ethyl-7-hydroxy-2-[(2-propan-2-ylphenyl)methyl]-1,4-benzoxazin-3-one
CID 82229156
6-hydroxy-1,3-dimethyl-3H-indol-2-one
CID 19692931
2-ethyl-6-(1-hydroxyethyl)-4-methyl-1,4-benzoxazin-3-one
CID 82354955
2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-4-methyl-1,4-benzoxazin-3-one
CID 110383358

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethylphenyl)methyl]-6-hydroxy-4-methyl-1,4-benzoxazin-3-one?
The IUPAC name of 2-[(2,3-dimethylphenyl)methyl]-6-hydroxy-4-methyl-1,4-benzoxazin-3-one (CID 82229239) is 2-[(2,3-dimethylphenyl)methyl]-6-hydroxy-4-methyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 2-[(2,3-dimethylphenyl)methyl]-6-hydroxy-4-methyl-1,4-benzoxazin-3-one?
The canonical SMILES for 2-[(2,3-dimethylphenyl)methyl]-6-hydroxy-4-methyl-1,4-benzoxazin-3-one is Cc1cccc(CC2Oc3ccc(O)cc3N(C)C2=O)c1C.
What is the InChIKey of 2-[(2,3-dimethylphenyl)methyl]-6-hydroxy-4-methyl-1,4-benzoxazin-3-one?
The InChIKey is JRVNDIJXZNBEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-11-5-4-6-13(12(11)2)9-17-18(21)19(3)15-10-14(20)7-8-16(15)22-17/h4-8,10,17,20H,9H2,1-3H3.
What are the key properties of 2-[(2,3-dimethylphenyl)methyl]-6-hydroxy-4-methyl-1,4-benzoxazin-3-one?
2-[(2,3-dimethylphenyl)methyl]-6-hydroxy-4-methyl-1,4-benzoxazin-3-one has a molecular weight of 297.35 g/mol, XLogP of 2.98, 2 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]-6-hydroxy-4-methyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 82229239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).