1,9-dichloro-8-oxido-8,14-dihydrochromeno[2,3-c]phenoxazin-8-ium-14-ol

C19H11Cl2NO4 — CID 163426983

IUPAC1,9-dichloro-8-oxido-8,14-dihydrochromeno[2,3-c]phenoxazin-8-ium-14-ol
SMILES[O-][NH+]1c2ccc3c(c2Oc2cccc(Cl)c21)C(O)c1c(Cl)cccc1O3
InChIInChI=1S/C19H11Cl2NO4/c20-9-3-1-5-12-15(9)18(23)16-13(25-12)8-7-11-19(16)26-14-6-2-4-10(21)17(14)22(11)24/h1-8,18,22-23H
InChIKeyANJJGYYCCZLEFM-UHFFFAOYSA-N
MW388.21 g/mol
LogP4.63
Rot. Bonds

About 1,9-dichloro-8-oxido-8,14-dihydrochromeno[2,3-c]phenoxazin-8-ium-14-ol

1,9-dichloro-8-oxido-8,14-dihydrochromeno[2,3-c]phenoxazin-8-ium-14-ol (PubChem CID 163426983) has the molecular formula C19H11Cl2NO4 and a molecular weight of 388.21 g/mol. Its IUPAC name is 1,9-dichloro-8-oxido-8,14-dihydrochromeno[2,3-c]phenoxazin-8-ium-14-ol.

Molecular Properties

Compound Name1,9-dichloro-8-oxido-8,14-dihydrochromeno[2,3-c]phenoxazin-8-ium-14-ol
PubChem CID163426983
Molecular FormulaC19H11Cl2NO4
Molecular Weight388.21 g/mol
Exact Mass387.01
IUPAC Name1,9-dichloro-8-oxido-8,14-dihydrochromeno[2,3-c]phenoxazin-8-ium-14-ol
SMILES[O-][NH+]1c2ccc3c(c2Oc2cccc(Cl)c21)C(O)c1c(Cl)cccc1O3
InChIInChI=1S/C19H11Cl2NO4/c20-9-3-1-5-12-15(9)18(23)16-13(25-12)8-7-11-19(16)26-14-6-2-4-10(21)17(14)22(11)24/h1-8,18,22-23H
InChIKeyANJJGYYCCZLEFM-UHFFFAOYSA-N
XLogP4.63
TPSA66.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.21
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,9-dichloro-8-oxido-8,14-dihydrochromeno[2,3-c]phenoxazin-8-ium-14-ol?
The IUPAC name of 1,9-dichloro-8-oxido-8,14-dihydrochromeno[2,3-c]phenoxazin-8-ium-14-ol (CID 163426983) is 1,9-dichloro-8-oxido-8,14-dihydrochromeno[2,3-c]phenoxazin-8-ium-14-ol.
What is the SMILES notation for 1,9-dichloro-8-oxido-8,14-dihydrochromeno[2,3-c]phenoxazin-8-ium-14-ol?
The canonical SMILES for 1,9-dichloro-8-oxido-8,14-dihydrochromeno[2,3-c]phenoxazin-8-ium-14-ol is [O-][NH+]1c2ccc3c(c2Oc2cccc(Cl)c21)C(O)c1c(Cl)cccc1O3.
What is the InChIKey of 1,9-dichloro-8-oxido-8,14-dihydrochromeno[2,3-c]phenoxazin-8-ium-14-ol?
The InChIKey is ANJJGYYCCZLEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl2NO4/c20-9-3-1-5-12-15(9)18(23)16-13(25-12)8-7-11-19(16)26-14-6-2-4-10(21)17(14)22(11)24/h1-8,18,22-23H.
What are the key properties of 1,9-dichloro-8-oxido-8,14-dihydrochromeno[2,3-c]phenoxazin-8-ium-14-ol?
1,9-dichloro-8-oxido-8,14-dihydrochromeno[2,3-c]phenoxazin-8-ium-14-ol has a molecular weight of 388.21 g/mol, XLogP of 4.63, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dichloro-8-oxido-8,14-dihydrochromeno[2,3-c]phenoxazin-8-ium-14-ol is sourced from PubChem (CID 163426983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).