(3,5-dichloro-4-hydroxyphenyl)-(7-hydroxy-2,3-dihydro-1,4-benzoxazin-4-yl)methanone

C15H11Cl2NO4 — CID 11631472

IUPAC(3,5-dichloro-4-hydroxyphenyl)-(7-hydroxy-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
SMILESO=C(c1cc(Cl)c(O)c(Cl)c1)N1CCOc2cc(O)ccc21
InChIInChI=1S/C15H11Cl2NO4/c16-10-5-8(6-11(17)14(10)20)15(21)18-3-4-22-13-7-9(19)1-2-12(13)18/h1-2,5-7,19-20H,3-4H2
InChIKeyVJLHNFLXEVXSNS-UHFFFAOYSA-N
MW340.16 g/mol
LogP3.44
Rot. Bonds1

About (3,5-dichloro-4-hydroxyphenyl)-(7-hydroxy-2,3-dihydro-1,4-benzoxazin-4-yl)methanone

(3,5-dichloro-4-hydroxyphenyl)-(7-hydroxy-2,3-dihydro-1,4-benzoxazin-4-yl)methanone (PubChem CID 11631472) has the molecular formula C15H11Cl2NO4 and a molecular weight of 340.16 g/mol. Its IUPAC name is (3,5-dichloro-4-hydroxyphenyl)-(7-hydroxy-2,3-dihydro-1,4-benzoxazin-4-yl)methanone.

Molecular Properties

Compound Name(3,5-dichloro-4-hydroxyphenyl)-(7-hydroxy-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
PubChem CID11631472
Molecular FormulaC15H11Cl2NO4
Molecular Weight340.16 g/mol
Exact Mass339.01
IUPAC Name(3,5-dichloro-4-hydroxyphenyl)-(7-hydroxy-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
SMILESO=C(c1cc(Cl)c(O)c(Cl)c1)N1CCOc2cc(O)ccc21
InChIInChI=1S/C15H11Cl2NO4/c16-10-5-8(6-11(17)14(10)20)15(21)18-3-4-22-13-7-9(19)1-2-12(13)18/h1-2,5-7,19-20H,3-4H2
InChIKeyVJLHNFLXEVXSNS-UHFFFAOYSA-N
XLogP3.44
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.16
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,5-dichloro-4-hydroxyphenyl)-(7-hydroxy-2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
The IUPAC name of (3,5-dichloro-4-hydroxyphenyl)-(7-hydroxy-2,3-dihydro-1,4-benzoxazin-4-yl)methanone (CID 11631472) is (3,5-dichloro-4-hydroxyphenyl)-(7-hydroxy-2,3-dihydro-1,4-benzoxazin-4-yl)methanone.
What is the SMILES notation for (3,5-dichloro-4-hydroxyphenyl)-(7-hydroxy-2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
The canonical SMILES for (3,5-dichloro-4-hydroxyphenyl)-(7-hydroxy-2,3-dihydro-1,4-benzoxazin-4-yl)methanone is O=C(c1cc(Cl)c(O)c(Cl)c1)N1CCOc2cc(O)ccc21.
What is the InChIKey of (3,5-dichloro-4-hydroxyphenyl)-(7-hydroxy-2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
The InChIKey is VJLHNFLXEVXSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO4/c16-10-5-8(6-11(17)14(10)20)15(21)18-3-4-22-13-7-9(19)1-2-12(13)18/h1-2,5-7,19-20H,3-4H2.
What are the key properties of (3,5-dichloro-4-hydroxyphenyl)-(7-hydroxy-2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
(3,5-dichloro-4-hydroxyphenyl)-(7-hydroxy-2,3-dihydro-1,4-benzoxazin-4-yl)methanone has a molecular weight of 340.16 g/mol, XLogP of 3.44, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichloro-4-hydroxyphenyl)-(7-hydroxy-2,3-dihydro-1,4-benzoxazin-4-yl)methanone is sourced from PubChem (CID 11631472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).