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

C15H12ClNO3 — CID 82063378

IUPAC4-[(4-chlorophenyl)methyl]-6-hydroxy-1,4-benzoxazin-3-one
SMILESO=C1COc2ccc(O)cc2N1Cc1ccc(Cl)cc1
InChIInChI=1S/C15H12ClNO3/c16-11-3-1-10(2-4-11)8-17-13-7-12(18)5-6-14(13)20-9-15(17)19/h1-7,18H,8-9H2
InChIKeyLRGNSTUJAKZAJJ-UHFFFAOYSA-N
MW289.72 g/mol
LogP2.97
Rot. Bonds2

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

4-[(4-chlorophenyl)methyl]-6-hydroxy-1,4-benzoxazin-3-one (PubChem CID 82063378) has the molecular formula C15H12ClNO3 and a molecular weight of 289.72 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl]-6-hydroxy-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methyl]-6-hydroxy-1,4-benzoxazin-3-one
PubChem CID82063378
Molecular FormulaC15H12ClNO3
Molecular Weight289.72 g/mol
Exact Mass289.05
IUPAC Name4-[(4-chlorophenyl)methyl]-6-hydroxy-1,4-benzoxazin-3-one
SMILESO=C1COc2ccc(O)cc2N1Cc1ccc(Cl)cc1
InChIInChI=1S/C15H12ClNO3/c16-11-3-1-10(2-4-11)8-17-13-7-12(18)5-6-14(13)20-9-15(17)19/h1-7,18H,8-9H2
InChIKeyLRGNSTUJAKZAJJ-UHFFFAOYSA-N
XLogP2.97
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(4-chlorophenyl)methyl]-6-hydroxy-1,4-benzoxazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethyl-6-hydroxy-1,4-benzoxazin-3-one
CID 82063398
(E)-3-[4-[(4-chlorophenyl)methyl]-3-oxo-1,4-benzoxazin-6-yl]-N-hydroxyprop-2-enamide
CID 170647918
6-amino-4-[(4-aminophenyl)methyl]-1,4-benzoxazin-3-one
CID 115212371
4-[(3-chloro-4-fluorophenyl)methyl]-6-iodo-1,4-benzoxazin-3-one
CID 103042239
4-[(4-chlorophenyl)methyl]-6-[6-(4-chlorophenyl)-4-phenyl-2-pyridinyl]-1,4-benzoxazin-3-one
CID 44724578
6-hydroxy-4-(2-morpholin-4-ylethyl)-1,4-benzoxazin-3-one
CID 82063421
3-[(4-chlorophenyl)methyl]-1,3-oxazolidine-2,4-dione
CID 141225509
N-[2-(4-chlorophenyl)ethyl]-4-[(4-fluorophenyl)methyl]-3-oxo-1,4-benzoxazine-6-carboxamide
CID 53023913
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetyl chloride
CID 6494233
4-benzyl-6-bromo-1,4-benzoxazin-3-one
CID 68733662
4-hexyl-6-hydroxy-1,4-benzoxazin-3-one
CID 82063394
4-[(4-ethylphenyl)methyl]-6-iodo-1,4-benzoxazin-3-one
CID 79782665

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methyl]-6-hydroxy-1,4-benzoxazin-3-one?
The IUPAC name of 4-[(4-chlorophenyl)methyl]-6-hydroxy-1,4-benzoxazin-3-one (CID 82063378) is 4-[(4-chlorophenyl)methyl]-6-hydroxy-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-[(4-chlorophenyl)methyl]-6-hydroxy-1,4-benzoxazin-3-one?
The canonical SMILES for 4-[(4-chlorophenyl)methyl]-6-hydroxy-1,4-benzoxazin-3-one is O=C1COc2ccc(O)cc2N1Cc1ccc(Cl)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)methyl]-6-hydroxy-1,4-benzoxazin-3-one?
The InChIKey is LRGNSTUJAKZAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO3/c16-11-3-1-10(2-4-11)8-17-13-7-12(18)5-6-14(13)20-9-15(17)19/h1-7,18H,8-9H2.
What are the key properties of 4-[(4-chlorophenyl)methyl]-6-hydroxy-1,4-benzoxazin-3-one?
4-[(4-chlorophenyl)methyl]-6-hydroxy-1,4-benzoxazin-3-one has a molecular weight of 289.72 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methyl]-6-hydroxy-1,4-benzoxazin-3-one is sourced from PubChem (CID 82063378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).