6-chloro-3-methoxy-2-methyl-1-phenyl-9H-carbazole

C20H16ClNO — CID 10947217

IUPAC6-chloro-3-methoxy-2-methyl-1-phenyl-9H-carbazole
SMILESCOc1cc2c([nH]c3ccc(Cl)cc32)c(-c2ccccc2)c1C
InChIInChI=1S/C20H16ClNO/c1-12-18(23-2)11-16-15-10-14(21)8-9-17(15)22-20(16)19(12)13-6-4-3-5-7-13/h3-11,22H,1-2H3
InChIKeyZIOOMUSPLCJTQR-UHFFFAOYSA-N
MW321.81 g/mol
LogP5.96
Rot. Bonds2

About 6-chloro-3-methoxy-2-methyl-1-phenyl-9H-carbazole

6-chloro-3-methoxy-2-methyl-1-phenyl-9H-carbazole (PubChem CID 10947217) has the molecular formula C20H16ClNO and a molecular weight of 321.81 g/mol. Its IUPAC name is 6-chloro-3-methoxy-2-methyl-1-phenyl-9H-carbazole.

Molecular Properties

Compound Name6-chloro-3-methoxy-2-methyl-1-phenyl-9H-carbazole
PubChem CID10947217
Molecular FormulaC20H16ClNO
Molecular Weight321.81 g/mol
Exact Mass321.09
IUPAC Name6-chloro-3-methoxy-2-methyl-1-phenyl-9H-carbazole
SMILESCOc1cc2c([nH]c3ccc(Cl)cc32)c(-c2ccccc2)c1C
InChIInChI=1S/C20H16ClNO/c1-12-18(23-2)11-16-15-10-14(21)8-9-17(15)22-20(16)19(12)13-6-4-3-5-7-13/h3-11,22H,1-2H3
InChIKeyZIOOMUSPLCJTQR-UHFFFAOYSA-N
XLogP5.96
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.81
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-methoxy-2-methyl-1-phenyl-9H-carbazole?
The IUPAC name of 6-chloro-3-methoxy-2-methyl-1-phenyl-9H-carbazole (CID 10947217) is 6-chloro-3-methoxy-2-methyl-1-phenyl-9H-carbazole.
What is the SMILES notation for 6-chloro-3-methoxy-2-methyl-1-phenyl-9H-carbazole?
The canonical SMILES for 6-chloro-3-methoxy-2-methyl-1-phenyl-9H-carbazole is COc1cc2c([nH]c3ccc(Cl)cc32)c(-c2ccccc2)c1C.
What is the InChIKey of 6-chloro-3-methoxy-2-methyl-1-phenyl-9H-carbazole?
The InChIKey is ZIOOMUSPLCJTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO/c1-12-18(23-2)11-16-15-10-14(21)8-9-17(15)22-20(16)19(12)13-6-4-3-5-7-13/h3-11,22H,1-2H3.
What are the key properties of 6-chloro-3-methoxy-2-methyl-1-phenyl-9H-carbazole?
6-chloro-3-methoxy-2-methyl-1-phenyl-9H-carbazole has a molecular weight of 321.81 g/mol, XLogP of 5.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-methoxy-2-methyl-1-phenyl-9H-carbazole is sourced from PubChem (CID 10947217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).