9-chloro-12H-[1,4]benzodioxino[2,3-a]carbazole

C18H10ClNO2 — CID 118442132

IUPAC9-chloro-12H-[1,4]benzodioxino[2,3-a]carbazole
SMILESClc1ccc2[nH]c3c4c(ccc3c2c1)Oc1ccccc1O4
InChIInChI=1S/C18H10ClNO2/c19-10-5-7-13-12(9-10)11-6-8-16-18(17(11)20-13)22-15-4-2-1-3-14(15)21-16/h1-9,20H
InChIKeyQMTDEHRFVSAVNK-UHFFFAOYSA-N
MW307.74 g/mol
LogP5.87
Rot. Bonds

About 9-chloro-12H-[1,4]benzodioxino[2,3-a]carbazole

9-chloro-12H-[1,4]benzodioxino[2,3-a]carbazole (PubChem CID 118442132) has the molecular formula C18H10ClNO2 and a molecular weight of 307.74 g/mol. Its IUPAC name is 9-chloro-12H-[1,4]benzodioxino[2,3-a]carbazole.

Molecular Properties

Compound Name9-chloro-12H-[1,4]benzodioxino[2,3-a]carbazole
PubChem CID118442132
Molecular FormulaC18H10ClNO2
Molecular Weight307.74 g/mol
Exact Mass307.04
IUPAC Name9-chloro-12H-[1,4]benzodioxino[2,3-a]carbazole
SMILESClc1ccc2[nH]c3c4c(ccc3c2c1)Oc1ccccc1O4
InChIInChI=1S/C18H10ClNO2/c19-10-5-7-13-12(9-10)11-6-8-16-18(17(11)20-13)22-15-4-2-1-3-14(15)21-16/h1-9,20H
InChIKeyQMTDEHRFVSAVNK-UHFFFAOYSA-N
XLogP5.87
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.74
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-chloro-12H-[1,4]benzodioxino[2,3-a]carbazole?
The IUPAC name of 9-chloro-12H-[1,4]benzodioxino[2,3-a]carbazole (CID 118442132) is 9-chloro-12H-[1,4]benzodioxino[2,3-a]carbazole.
What is the SMILES notation for 9-chloro-12H-[1,4]benzodioxino[2,3-a]carbazole?
The canonical SMILES for 9-chloro-12H-[1,4]benzodioxino[2,3-a]carbazole is Clc1ccc2[nH]c3c4c(ccc3c2c1)Oc1ccccc1O4.
What is the InChIKey of 9-chloro-12H-[1,4]benzodioxino[2,3-a]carbazole?
The InChIKey is QMTDEHRFVSAVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClNO2/c19-10-5-7-13-12(9-10)11-6-8-16-18(17(11)20-13)22-15-4-2-1-3-14(15)21-16/h1-9,20H.
What are the key properties of 9-chloro-12H-[1,4]benzodioxino[2,3-a]carbazole?
9-chloro-12H-[1,4]benzodioxino[2,3-a]carbazole has a molecular weight of 307.74 g/mol, XLogP of 5.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-12H-[1,4]benzodioxino[2,3-a]carbazole is sourced from PubChem (CID 118442132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).