4-[(2-chlorophenyl)methyl]-7-hydroxy-1,4-benzoxazin-3-one

C15H12ClNO3 — CID 82063570

IUPAC4-[(2-chlorophenyl)methyl]-7-hydroxy-1,4-benzoxazin-3-one
SMILESO=C1COc2cc(O)ccc2N1Cc1ccccc1Cl
InChIInChI=1S/C15H12ClNO3/c16-12-4-2-1-3-10(12)8-17-13-6-5-11(18)7-14(13)20-9-15(17)19/h1-7,18H,8-9H2
InChIKeyNDZODNHDIXUQBH-UHFFFAOYSA-N
MW289.72 g/mol
LogP2.97
Rot. Bonds2

About 4-[(2-chlorophenyl)methyl]-7-hydroxy-1,4-benzoxazin-3-one

4-[(2-chlorophenyl)methyl]-7-hydroxy-1,4-benzoxazin-3-one (PubChem CID 82063570) has the molecular formula C15H12ClNO3 and a molecular weight of 289.72 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methyl]-7-hydroxy-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methyl]-7-hydroxy-1,4-benzoxazin-3-one
PubChem CID82063570
Molecular FormulaC15H12ClNO3
Molecular Weight289.72 g/mol
Exact Mass289.05
IUPAC Name4-[(2-chlorophenyl)methyl]-7-hydroxy-1,4-benzoxazin-3-one
SMILESO=C1COc2cc(O)ccc2N1Cc1ccccc1Cl
InChIInChI=1S/C15H12ClNO3/c16-12-4-2-1-3-10(12)8-17-13-6-5-11(18)7-14(13)20-9-15(17)19/h1-7,18H,8-9H2
InChIKeyNDZODNHDIXUQBH-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

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Related Compounds

4-[(2-chlorophenyl)methyl]-7-iodo-1,4-benzoxazin-3-one
CID 79785245
7-amino-4-[(2,3-dichlorophenyl)methyl]-1,4-benzoxazin-3-one
CID 107306378
7-hydroxy-4-(2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-3-one
CID 82063603
4-[(4-chlorophenyl)methyl]-6-hydroxy-1,4-benzoxazin-3-one
CID 82063378
7-amino-4-[(2-methoxyphenyl)methyl]-1,4-benzoxazin-3-one
CID 62987889
2-[4-[[7-[[2-(2-chlorophenyl)acetyl]amino]-3-oxo-1,4-benzoxazin-4-yl]methyl]phenyl]benzoic acid
CID 156781366
6-chloro-4-(naphthalen-1-ylmethyl)-1,4-benzoxazin-3-one
CID 23411070
N-[4-[(4-chlorophenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]-2-phenylacetamide
CID 6488709
N-cyclopentyl-2-(7-hydroxy-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 82063564
4-[[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]methyl]-7-methyl-1,4-benzoxazin-3-one
CID 3640515
4-ethyl-6-hydroxy-1,4-benzoxazin-3-one
CID 82063398
7-amino-4-[(2-chlorophenyl)methyl]-5H-1,4-benzoxazepin-3-one
CID 42801462

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methyl]-7-hydroxy-1,4-benzoxazin-3-one?
The IUPAC name of 4-[(2-chlorophenyl)methyl]-7-hydroxy-1,4-benzoxazin-3-one (CID 82063570) is 4-[(2-chlorophenyl)methyl]-7-hydroxy-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-[(2-chlorophenyl)methyl]-7-hydroxy-1,4-benzoxazin-3-one?
The canonical SMILES for 4-[(2-chlorophenyl)methyl]-7-hydroxy-1,4-benzoxazin-3-one is O=C1COc2cc(O)ccc2N1Cc1ccccc1Cl.
What is the InChIKey of 4-[(2-chlorophenyl)methyl]-7-hydroxy-1,4-benzoxazin-3-one?
The InChIKey is NDZODNHDIXUQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO3/c16-12-4-2-1-3-10(12)8-17-13-6-5-11(18)7-14(13)20-9-15(17)19/h1-7,18H,8-9H2.
What are the key properties of 4-[(2-chlorophenyl)methyl]-7-hydroxy-1,4-benzoxazin-3-one?
4-[(2-chlorophenyl)methyl]-7-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-[(2-chlorophenyl)methyl]-7-hydroxy-1,4-benzoxazin-3-one is sourced from PubChem (CID 82063570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).