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

C15H10Cl2FNO3 — CID 11624297

IUPAC(3,5-dichloro-4-hydroxyphenyl)-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
SMILESO=C(c1cc(Cl)c(O)c(Cl)c1)N1CCOc2ccc(F)cc21
InChIInChI=1S/C15H10Cl2FNO3/c16-10-5-8(6-11(17)14(10)20)15(21)19-3-4-22-13-2-1-9(18)7-12(13)19/h1-2,5-7,20H,3-4H2
InChIKeyUTUQMSDFDCFPFD-UHFFFAOYSA-N
MW342.15 g/mol
LogP3.88
Rot. Bonds1

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

(3,5-dichloro-4-hydroxyphenyl)-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)methanone (PubChem CID 11624297) has the molecular formula C15H10Cl2FNO3 and a molecular weight of 342.15 g/mol. Its IUPAC name is (3,5-dichloro-4-hydroxyphenyl)-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)methanone.

Molecular Properties

Compound Name(3,5-dichloro-4-hydroxyphenyl)-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
PubChem CID11624297
Molecular FormulaC15H10Cl2FNO3
Molecular Weight342.15 g/mol
Exact Mass341.00
IUPAC Name(3,5-dichloro-4-hydroxyphenyl)-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
SMILESO=C(c1cc(Cl)c(O)c(Cl)c1)N1CCOc2ccc(F)cc21
InChIInChI=1S/C15H10Cl2FNO3/c16-10-5-8(6-11(17)14(10)20)15(21)19-3-4-22-13-2-1-9(18)7-12(13)19/h1-2,5-7,20H,3-4H2
InChIKeyUTUQMSDFDCFPFD-UHFFFAOYSA-N
XLogP3.88
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.15
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dichloro-4-hydroxyphenyl)-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)methanone;6-fluoro-3,4-dihydro-2H-1,4-benzoxazine
CID 159894981
(3,5-dichloro-4-hydroxyphenyl)-(7-hydroxy-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 11631472
4-(3,5-dichloro-4-hydroxybenzoyl)-N,N-dimethyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
CID 11575601
6-fluoro-2,3-dihydro-1,4-benzoxazine-4-carboxylic acid
CID 91461591
(3,5-dichloro-4-hydroxyphenyl)-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone;6-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 159195894
methyl 4-(3,5-dichloro-4-hydroxybenzoyl)-2,3-dihydro-1,4-benzoxazine-7-carboxylate
CID 11653821
(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-(2,3,4-trifluorophenyl)methanone
CID 110639332
(3,5-dichloro-4-hydroxyphenyl)-(8-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 11624214
[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydro-1,4-benzoxazin-4-yl]-(3,5-dichloro-4-hydroxyphenyl)methanone;(3,5-dichloro-4-hydroxyphenyl)-[6-(hydroxymethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone
CID 69234841
1-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one
CID 110639273
(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 55969626
(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 43062745

Frequently Asked Questions

What is the IUPAC name of (3,5-dichloro-4-hydroxyphenyl)-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
The IUPAC name of (3,5-dichloro-4-hydroxyphenyl)-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)methanone (CID 11624297) is (3,5-dichloro-4-hydroxyphenyl)-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)methanone.
What is the SMILES notation for (3,5-dichloro-4-hydroxyphenyl)-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
The canonical SMILES for (3,5-dichloro-4-hydroxyphenyl)-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)methanone is O=C(c1cc(Cl)c(O)c(Cl)c1)N1CCOc2ccc(F)cc21.
What is the InChIKey of (3,5-dichloro-4-hydroxyphenyl)-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
The InChIKey is UTUQMSDFDCFPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2FNO3/c16-10-5-8(6-11(17)14(10)20)15(21)19-3-4-22-13-2-1-9(18)7-12(13)19/h1-2,5-7,20H,3-4H2.
What are the key properties of (3,5-dichloro-4-hydroxyphenyl)-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
(3,5-dichloro-4-hydroxyphenyl)-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)methanone has a molecular weight of 342.15 g/mol, XLogP of 3.88, 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-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)methanone is sourced from PubChem (CID 11624297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).