(3-chloro-4-hydroxyphenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone

C15H12ClNO3 — CID 11500237

IUPAC(3-chloro-4-hydroxyphenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
SMILESO=C(c1ccc(O)c(Cl)c1)N1CCOc2ccccc21
InChIInChI=1S/C15H12ClNO3/c16-11-9-10(5-6-13(11)18)15(19)17-7-8-20-14-4-2-1-3-12(14)17/h1-6,9,18H,7-8H2
InChIKeyNKNBVPIUIOUXEO-UHFFFAOYSA-N
MW289.72 g/mol
LogP3.08
Rot. Bonds1

About (3-chloro-4-hydroxyphenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone

(3-chloro-4-hydroxyphenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone (PubChem CID 11500237) has the molecular formula C15H12ClNO3 and a molecular weight of 289.72 g/mol. Its IUPAC name is (3-chloro-4-hydroxyphenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone.

Molecular Properties

Compound Name(3-chloro-4-hydroxyphenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
PubChem CID11500237
Molecular FormulaC15H12ClNO3
Molecular Weight289.72 g/mol
Exact Mass289.05
IUPAC Name(3-chloro-4-hydroxyphenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
SMILESO=C(c1ccc(O)c(Cl)c1)N1CCOc2ccccc21
InChIInChI=1S/C15H12ClNO3/c16-11-9-10(5-6-13(11)18)15(19)17-7-8-20-14-4-2-1-3-12(14)17/h1-6,9,18H,7-8H2
InChIKeyNKNBVPIUIOUXEO-UHFFFAOYSA-N
XLogP3.08
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-chloro-4-hydroxyphenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-hydroxyphenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
The IUPAC name of (3-chloro-4-hydroxyphenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone (CID 11500237) is (3-chloro-4-hydroxyphenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone.
What is the SMILES notation for (3-chloro-4-hydroxyphenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
The canonical SMILES for (3-chloro-4-hydroxyphenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone is O=C(c1ccc(O)c(Cl)c1)N1CCOc2ccccc21.
What is the InChIKey of (3-chloro-4-hydroxyphenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
The InChIKey is NKNBVPIUIOUXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO3/c16-11-9-10(5-6-13(11)18)15(19)17-7-8-20-14-4-2-1-3-12(14)17/h1-6,9,18H,7-8H2.
What are the key properties of (3-chloro-4-hydroxyphenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
(3-chloro-4-hydroxyphenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone has a molecular weight of 289.72 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-hydroxyphenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone is sourced from PubChem (CID 11500237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).