(3,5-dichloro-4-hydroxyphenyl)-phenoxazin-10-ylmethanone

C19H11Cl2NO3 — CID 11581527

IUPAC(3,5-dichloro-4-hydroxyphenyl)-phenoxazin-10-ylmethanone
SMILESO=C(c1cc(Cl)c(O)c(Cl)c1)N1c2ccccc2Oc2ccccc21
InChIInChI=1S/C19H11Cl2NO3/c20-12-9-11(10-13(21)18(12)23)19(24)22-14-5-1-3-7-16(14)25-17-8-4-2-6-15(17)22/h1-10,23H
InChIKeyJKZXHKUCZLDNLE-UHFFFAOYSA-N
MW372.21 g/mol
LogP5.78
Rot. Bonds1

About (3,5-dichloro-4-hydroxyphenyl)-phenoxazin-10-ylmethanone

(3,5-dichloro-4-hydroxyphenyl)-phenoxazin-10-ylmethanone (PubChem CID 11581527) has the molecular formula C19H11Cl2NO3 and a molecular weight of 372.21 g/mol. Its IUPAC name is (3,5-dichloro-4-hydroxyphenyl)-phenoxazin-10-ylmethanone.

Molecular Properties

Compound Name(3,5-dichloro-4-hydroxyphenyl)-phenoxazin-10-ylmethanone
PubChem CID11581527
Molecular FormulaC19H11Cl2NO3
Molecular Weight372.21 g/mol
Exact Mass371.01
IUPAC Name(3,5-dichloro-4-hydroxyphenyl)-phenoxazin-10-ylmethanone
SMILESO=C(c1cc(Cl)c(O)c(Cl)c1)N1c2ccccc2Oc2ccccc21
InChIInChI=1S/C19H11Cl2NO3/c20-12-9-11(10-13(21)18(12)23)19(24)22-14-5-1-3-7-16(14)25-17-8-4-2-6-15(17)22/h1-10,23H
InChIKeyJKZXHKUCZLDNLE-UHFFFAOYSA-N
XLogP5.78
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.21
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,5-dichloro-4-hydroxyphenyl)-phenoxazin-10-ylmethanone?
The IUPAC name of (3,5-dichloro-4-hydroxyphenyl)-phenoxazin-10-ylmethanone (CID 11581527) is (3,5-dichloro-4-hydroxyphenyl)-phenoxazin-10-ylmethanone.
What is the SMILES notation for (3,5-dichloro-4-hydroxyphenyl)-phenoxazin-10-ylmethanone?
The canonical SMILES for (3,5-dichloro-4-hydroxyphenyl)-phenoxazin-10-ylmethanone is O=C(c1cc(Cl)c(O)c(Cl)c1)N1c2ccccc2Oc2ccccc21.
What is the InChIKey of (3,5-dichloro-4-hydroxyphenyl)-phenoxazin-10-ylmethanone?
The InChIKey is JKZXHKUCZLDNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl2NO3/c20-12-9-11(10-13(21)18(12)23)19(24)22-14-5-1-3-7-16(14)25-17-8-4-2-6-15(17)22/h1-10,23H.
What are the key properties of (3,5-dichloro-4-hydroxyphenyl)-phenoxazin-10-ylmethanone?
(3,5-dichloro-4-hydroxyphenyl)-phenoxazin-10-ylmethanone has a molecular weight of 372.21 g/mol, XLogP of 5.78, 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)-phenoxazin-10-ylmethanone is sourced from PubChem (CID 11581527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).