1-(4-methylphenoxy)-9H-carbazole

C19H15NO — CID 141175510

IUPAC1-(4-methylphenoxy)-9H-carbazole
SMILESCc1ccc(Oc2cccc3c2[nH]c2ccccc23)cc1
InChIInChI=1S/C19H15NO/c1-13-9-11-14(12-10-13)21-18-8-4-6-16-15-5-2-3-7-17(15)20-19(16)18/h2-12,20H,1H3
InChIKeyFEWRJKOTXGNMLC-UHFFFAOYSA-N
MW273.34 g/mol
LogP5.42
Rot. Bonds2

About 1-(4-methylphenoxy)-9H-carbazole

1-(4-methylphenoxy)-9H-carbazole (PubChem CID 141175510) has the molecular formula C19H15NO and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-(4-methylphenoxy)-9H-carbazole.

Molecular Properties

Compound Name1-(4-methylphenoxy)-9H-carbazole
PubChem CID141175510
Molecular FormulaC19H15NO
Molecular Weight273.34 g/mol
Exact Mass273.12
IUPAC Name1-(4-methylphenoxy)-9H-carbazole
SMILESCc1ccc(Oc2cccc3c2[nH]c2ccccc23)cc1
InChIInChI=1S/C19H15NO/c1-13-9-11-14(12-10-13)21-18-8-4-6-16-15-5-2-3-7-17(15)20-19(16)18/h2-12,20H,1H3
InChIKeyFEWRJKOTXGNMLC-UHFFFAOYSA-N
XLogP5.42
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.34
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenoxy)-9H-carbazole?
The IUPAC name of 1-(4-methylphenoxy)-9H-carbazole (CID 141175510) is 1-(4-methylphenoxy)-9H-carbazole.
What is the SMILES notation for 1-(4-methylphenoxy)-9H-carbazole?
The canonical SMILES for 1-(4-methylphenoxy)-9H-carbazole is Cc1ccc(Oc2cccc3c2[nH]c2ccccc23)cc1.
What is the InChIKey of 1-(4-methylphenoxy)-9H-carbazole?
The InChIKey is FEWRJKOTXGNMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO/c1-13-9-11-14(12-10-13)21-18-8-4-6-16-15-5-2-3-7-17(15)20-19(16)18/h2-12,20H,1H3.
What are the key properties of 1-(4-methylphenoxy)-9H-carbazole?
1-(4-methylphenoxy)-9H-carbazole has a molecular weight of 273.34 g/mol, XLogP of 5.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenoxy)-9H-carbazole is sourced from PubChem (CID 141175510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).