(3,5-dichloro-4-hydroxyphenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone

C15H11Cl2NO3 — CID 11695508

IUPAC(3,5-dichloro-4-hydroxyphenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
SMILESO=C(c1cc(Cl)c(O)c(Cl)c1)N1CCOc2ccccc21
InChIInChI=1S/C15H11Cl2NO3/c16-10-7-9(8-11(17)14(10)19)15(20)18-5-6-21-13-4-2-1-3-12(13)18/h1-4,7-8,19H,5-6H2
InChIKeyASUMVAPLXCRBMA-UHFFFAOYSA-N
MW324.16 g/mol
LogP3.74
Rot. Bonds1

About (3,5-dichloro-4-hydroxyphenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone

(3,5-dichloro-4-hydroxyphenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone (PubChem CID 11695508) has the molecular formula C15H11Cl2NO3 and a molecular weight of 324.16 g/mol. Its IUPAC name is (3,5-dichloro-4-hydroxyphenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone.

Molecular Properties

Compound Name(3,5-dichloro-4-hydroxyphenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
PubChem CID11695508
Molecular FormulaC15H11Cl2NO3
Molecular Weight324.16 g/mol
Exact Mass323.01
IUPAC Name(3,5-dichloro-4-hydroxyphenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
SMILESO=C(c1cc(Cl)c(O)c(Cl)c1)N1CCOc2ccccc21
InChIInChI=1S/C15H11Cl2NO3/c16-10-7-9(8-11(17)14(10)19)15(20)18-5-6-21-13-4-2-1-3-12(13)18/h1-4,7-8,19H,5-6H2
InChIKeyASUMVAPLXCRBMA-UHFFFAOYSA-N
XLogP3.74
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.16
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-Chlorophenyl)(2,3-dihydro-3-methyl-4H-1,4-benzoxazin-4-yl)methanone
CID 3457106
3-chloro-N-(5-chloro-2-hydroxyphenyl)-4-ethoxybenzamide
CID 888384
4-[2-(3-Chloro-phenyl)-2-oxo-ethyl]-2-methyl-4H-benzo[1,4]oxazin-3-one
CID 653184
(2,8-Dichlorophenoxazin-10-yl)-(4-methoxyphenyl)methanone
CID 53310138
3-chloro-4-ethoxy-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 979234
(4-Chlorophenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 2823799
(2-chlorophenyl)(3-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)methanone
CID 3780804
[3-(tert-butyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl](3-chlorophenyl)methanone
CID 5149984
4-[2-(3-chlorophenyl)-2-oxoethyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one
CID 644649
N-phenyl 4-[(2-amino)ethoxy]-3,5-dichlorobenzamide formate
CID 24774191
N-(2-methoxyphenyl) 4-[(2-amino)ethoxy]-3,5-dichlorobenzamide formate
CID 24774276
4-(3-Chloro-4-hydroxybenzoyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 11500237

Frequently Asked Questions

What is the IUPAC name of (3,5-dichloro-4-hydroxyphenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
The IUPAC name of (3,5-dichloro-4-hydroxyphenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone (CID 11695508) is (3,5-dichloro-4-hydroxyphenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone.
What is the SMILES notation for (3,5-dichloro-4-hydroxyphenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
The canonical SMILES for (3,5-dichloro-4-hydroxyphenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone is O=C(c1cc(Cl)c(O)c(Cl)c1)N1CCOc2ccccc21.
What is the InChIKey of (3,5-dichloro-4-hydroxyphenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
The InChIKey is ASUMVAPLXCRBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO3/c16-10-7-9(8-11(17)14(10)19)15(20)18-5-6-21-13-4-2-1-3-12(13)18/h1-4,7-8,19H,5-6H2.
What are the key properties of (3,5-dichloro-4-hydroxyphenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
(3,5-dichloro-4-hydroxyphenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone has a molecular weight of 324.16 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichloro-4-hydroxyphenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone is sourced from PubChem (CID 11695508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).