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

C18H19NO3 — CID 82229238

IUPAC2-[(2-ethylphenyl)methyl]-6-hydroxy-4-methyl-1,4-benzoxazin-3-one
SMILESCCc1ccccc1CC1Oc2ccc(O)cc2N(C)C1=O
InChIInChI=1S/C18H19NO3/c1-3-12-6-4-5-7-13(12)10-17-18(21)19(2)15-11-14(20)8-9-16(15)22-17/h4-9,11,17,20H,3,10H2,1-2H3
InChIKeyHHATYWRHTXQMBY-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.92
Rot. Bonds3

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

2-[(2-ethylphenyl)methyl]-6-hydroxy-4-methyl-1,4-benzoxazin-3-one (PubChem CID 82229238) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 2-[(2-ethylphenyl)methyl]-6-hydroxy-4-methyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name2-[(2-ethylphenyl)methyl]-6-hydroxy-4-methyl-1,4-benzoxazin-3-one
PubChem CID82229238
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name2-[(2-ethylphenyl)methyl]-6-hydroxy-4-methyl-1,4-benzoxazin-3-one
SMILESCCc1ccccc1CC1Oc2ccc(O)cc2N(C)C1=O
InChIInChI=1S/C18H19NO3/c1-3-12-6-4-5-7-13(12)10-17-18(21)19(2)15-11-14(20)8-9-16(15)22-17/h4-9,11,17,20H,3,10H2,1-2H3
InChIKeyHHATYWRHTXQMBY-UHFFFAOYSA-N
XLogP2.92
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.92
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-[(2,3-dimethylphenyl)methyl]-6-hydroxy-4-methyl-1,4-benzoxazin-3-one
CID 82229239
4-ethyl-7-hydroxy-2-[(2-propan-2-ylphenyl)methyl]-1,4-benzoxazin-3-one
CID 82229156
2-[(3-chlorophenyl)methyl]-7-hydroxy-4-methyl-1,4-benzoxazin-3-one
CID 82229236
2-(aminomethyl)-6-ethyl-4-methyl-1,4-benzoxazin-3-one
CID 82231045
2-(4,6-dimethyl-3-oxo-1,4-benzoxazin-2-yl)acetic acid
CID 82025526
2-ethyl-6-(1-hydroxyethyl)-4-methyl-1,4-benzoxazin-3-one
CID 82354955
6-acetyl-2-butyl-4-methyl-1,4-benzoxazin-3-one
CID 11507201
2-[(3,4-dimethylphenyl)methyl]-6-hydroxy-4-(2-hydroxyethyl)-1,4-benzoxazin-3-one
CID 82229345
2-benzyl-4-methyl-6-nitro-1,4-benzoxazin-3-one
CID 14423997
7-hydroxy-2-[(2-methoxyphenyl)methyl]-4-prop-2-ynyl-1,4-benzoxazin-3-one
CID 82229404
6-hydroxy-2-[(2-methoxyphenyl)methyl]-4H-1,4-benzoxazin-3-one
CID 82228731

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylphenyl)methyl]-6-hydroxy-4-methyl-1,4-benzoxazin-3-one?
The IUPAC name of 2-[(2-ethylphenyl)methyl]-6-hydroxy-4-methyl-1,4-benzoxazin-3-one (CID 82229238) is 2-[(2-ethylphenyl)methyl]-6-hydroxy-4-methyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 2-[(2-ethylphenyl)methyl]-6-hydroxy-4-methyl-1,4-benzoxazin-3-one?
The canonical SMILES for 2-[(2-ethylphenyl)methyl]-6-hydroxy-4-methyl-1,4-benzoxazin-3-one is CCc1ccccc1CC1Oc2ccc(O)cc2N(C)C1=O.
What is the InChIKey of 2-[(2-ethylphenyl)methyl]-6-hydroxy-4-methyl-1,4-benzoxazin-3-one?
The InChIKey is HHATYWRHTXQMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-3-12-6-4-5-7-13(12)10-17-18(21)19(2)15-11-14(20)8-9-16(15)22-17/h4-9,11,17,20H,3,10H2,1-2H3.
What are the key properties of 2-[(2-ethylphenyl)methyl]-6-hydroxy-4-methyl-1,4-benzoxazin-3-one?
2-[(2-ethylphenyl)methyl]-6-hydroxy-4-methyl-1,4-benzoxazin-3-one has a molecular weight of 297.35 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylphenyl)methyl]-6-hydroxy-4-methyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 82229238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).