1-heptyl-3,4-dimethoxy-2-methyl-9H-carbazole

C22H29NO2 — CID 11099863

IUPAC1-heptyl-3,4-dimethoxy-2-methyl-9H-carbazole
SMILESCCCCCCCc1c(C)c(OC)c(OC)c2c1[nH]c1ccccc12
InChIInChI=1S/C22H29NO2/c1-5-6-7-8-9-12-16-15(2)21(24-3)22(25-4)19-17-13-10-11-14-18(17)23-20(16)19/h10-11,13-14,23H,5-9,12H2,1-4H3
InChIKeyIPDBZJZDENIFBG-UHFFFAOYSA-N
MW339.48 g/mol
LogP6.16
Rot. Bonds8

About 1-heptyl-3,4-dimethoxy-2-methyl-9H-carbazole

1-heptyl-3,4-dimethoxy-2-methyl-9H-carbazole (PubChem CID 11099863) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is 1-heptyl-3,4-dimethoxy-2-methyl-9H-carbazole.

Molecular Properties

Compound Name1-heptyl-3,4-dimethoxy-2-methyl-9H-carbazole
PubChem CID11099863
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name1-heptyl-3,4-dimethoxy-2-methyl-9H-carbazole
SMILESCCCCCCCc1c(C)c(OC)c(OC)c2c1[nH]c1ccccc12
InChIInChI=1S/C22H29NO2/c1-5-6-7-8-9-12-16-15(2)21(24-3)22(25-4)19-17-13-10-11-14-18(17)23-20(16)19/h10-11,13-14,23H,5-9,12H2,1-4H3
InChIKeyIPDBZJZDENIFBG-UHFFFAOYSA-N
XLogP6.16
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.48
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-heptyl-3,4-dimethoxy-2-methyl-9H-carbazole?
The IUPAC name of 1-heptyl-3,4-dimethoxy-2-methyl-9H-carbazole (CID 11099863) is 1-heptyl-3,4-dimethoxy-2-methyl-9H-carbazole.
What is the SMILES notation for 1-heptyl-3,4-dimethoxy-2-methyl-9H-carbazole?
The canonical SMILES for 1-heptyl-3,4-dimethoxy-2-methyl-9H-carbazole is CCCCCCCc1c(C)c(OC)c(OC)c2c1[nH]c1ccccc12.
What is the InChIKey of 1-heptyl-3,4-dimethoxy-2-methyl-9H-carbazole?
The InChIKey is IPDBZJZDENIFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-5-6-7-8-9-12-16-15(2)21(24-3)22(25-4)19-17-13-10-11-14-18(17)23-20(16)19/h10-11,13-14,23H,5-9,12H2,1-4H3.
What are the key properties of 1-heptyl-3,4-dimethoxy-2-methyl-9H-carbazole?
1-heptyl-3,4-dimethoxy-2-methyl-9H-carbazole has a molecular weight of 339.48 g/mol, XLogP of 6.16, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptyl-3,4-dimethoxy-2-methyl-9H-carbazole is sourced from PubChem (CID 11099863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).