(3,5-dichloro-4-hydroxyphenyl)-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone

C16H13Cl2NO3 — CID 11515579

IUPAC(3,5-dichloro-4-hydroxyphenyl)-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
SMILESCc1ccc2c(c1)N(C(=O)c1cc(Cl)c(O)c(Cl)c1)CCO2
InChIInChI=1S/C16H13Cl2NO3/c1-9-2-3-14-13(6-9)19(4-5-22-14)16(21)10-7-11(17)15(20)12(18)8-10/h2-3,6-8,20H,4-5H2,1H3
InChIKeyUVXHHAHMFGILEI-UHFFFAOYSA-N
MW338.19 g/mol
LogP4.05
Rot. Bonds1

About (3,5-dichloro-4-hydroxyphenyl)-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone

(3,5-dichloro-4-hydroxyphenyl)-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone (PubChem CID 11515579) has the molecular formula C16H13Cl2NO3 and a molecular weight of 338.19 g/mol. Its IUPAC name is (3,5-dichloro-4-hydroxyphenyl)-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone.

Molecular Properties

Compound Name(3,5-dichloro-4-hydroxyphenyl)-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
PubChem CID11515579
Molecular FormulaC16H13Cl2NO3
Molecular Weight338.19 g/mol
Exact Mass337.03
IUPAC Name(3,5-dichloro-4-hydroxyphenyl)-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
SMILESCc1ccc2c(c1)N(C(=O)c1cc(Cl)c(O)c(Cl)c1)CCO2
InChIInChI=1S/C16H13Cl2NO3/c1-9-2-3-14-13(6-9)19(4-5-22-14)16(21)10-7-11(17)15(20)12(18)8-10/h2-3,6-8,20H,4-5H2,1H3
InChIKeyUVXHHAHMFGILEI-UHFFFAOYSA-N
XLogP4.05
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3,5-dichloro-4-hydroxyphenyl)-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone with MolForge

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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
4-[2-(3-Chloro-phenyl)-2-oxo-ethyl]-2,6-dimethyl-4H-benzo[1,4]oxazin-3-one
CID 649178
N-(2-methoxyphenyl) 4-[(2-amino)ethoxy]-3,5-dichlorobenzamide formate
CID 24774276
N-(3-chlorophenyl)-3-[3-(dimethylamino)propoxymethyl]-3-methyl-2,4-dihydro-1,4-benzoxazine-6-carboxamide
CID 134808183

Frequently Asked Questions

What is the IUPAC name of (3,5-dichloro-4-hydroxyphenyl)-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
The IUPAC name of (3,5-dichloro-4-hydroxyphenyl)-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone (CID 11515579) is (3,5-dichloro-4-hydroxyphenyl)-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone.
What is the SMILES notation for (3,5-dichloro-4-hydroxyphenyl)-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
The canonical SMILES for (3,5-dichloro-4-hydroxyphenyl)-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone is Cc1ccc2c(c1)N(C(=O)c1cc(Cl)c(O)c(Cl)c1)CCO2.
What is the InChIKey of (3,5-dichloro-4-hydroxyphenyl)-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
The InChIKey is UVXHHAHMFGILEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO3/c1-9-2-3-14-13(6-9)19(4-5-22-14)16(21)10-7-11(17)15(20)12(18)8-10/h2-3,6-8,20H,4-5H2,1H3.
What are the key properties of (3,5-dichloro-4-hydroxyphenyl)-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
(3,5-dichloro-4-hydroxyphenyl)-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone has a molecular weight of 338.19 g/mol, XLogP of 4.05, 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)-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone is sourced from PubChem (CID 11515579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).