2-butyl-5-methoxy-9-methylcarbazole

C18H21NO — CID 86239479

IUPAC2-butyl-5-methoxy-9-methylcarbazole
SMILESCCCCc1ccc2c3c(OC)cccc3n(C)c2c1
InChIInChI=1S/C18H21NO/c1-4-5-7-13-10-11-14-16(12-13)19(2)15-8-6-9-17(20-3)18(14)15/h6,8-12H,4-5,7H2,1-3H3
InChIKeyOFFRLEQWIRQVDP-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.68
Rot. Bonds4

About 2-butyl-5-methoxy-9-methylcarbazole

2-butyl-5-methoxy-9-methylcarbazole (PubChem CID 86239479) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-butyl-5-methoxy-9-methylcarbazole.

Molecular Properties

Compound Name2-butyl-5-methoxy-9-methylcarbazole
PubChem CID86239479
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name2-butyl-5-methoxy-9-methylcarbazole
SMILESCCCCc1ccc2c3c(OC)cccc3n(C)c2c1
InChIInChI=1S/C18H21NO/c1-4-5-7-13-10-11-14-16(12-13)19(2)15-8-6-9-17(20-3)18(14)15/h6,8-12H,4-5,7H2,1-3H3
InChIKeyOFFRLEQWIRQVDP-UHFFFAOYSA-N
XLogP4.68
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methoxy-2,9-dimethylcarbazole
CID 86239473
3-chloro-5-methoxy-9-methylpyrido[3,4-b]indole
CID 115045950
2-butyl-1,3-dimethoxybenzene
CID 524840
7-butyl-9-[(2-ethoxyphenyl)methyl]carbazole-4-carboxamide
CID 174400416
18,33-di(nonyl)dodecacyclo[24.16.0.02,7.03,40.06,11.08,25.09,22.010,15.016,21.029,42.030,35.036,41]dotetraconta-1(26),2,4,6,8(25),9(22),10,12,14,16(21),17,19,23,27,29(42),30(35),31,33,36,38,40-henicosaene
CID 177490465
4-hexyl-2-methoxyaniline
CID 70551686
3-butyl-5-methylpyrano[4,3-b]indol-1-one
CID 127032077
1,2-dimethoxy-3-(4-pentylphenyl)benzene
CID 175313159
1-heptyl-4-methoxyindole
CID 83174164
butyl 18-methoxy-9-methyl-9-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1,3,5,7,10,12,14(19),15,17,20-decaene-11-carboxylate
CID 175076655
5,12-dimethyl-9-[(9-methylcarbazol-2-yl)methyl]indolo[3,2-c]carbazole
CID 134194420
5-methoxy-9-methyl-2H-pyrido[3,4-b]indol-1-one
CID 115036593

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-methoxy-9-methylcarbazole?
The IUPAC name of 2-butyl-5-methoxy-9-methylcarbazole (CID 86239479) is 2-butyl-5-methoxy-9-methylcarbazole.
What is the SMILES notation for 2-butyl-5-methoxy-9-methylcarbazole?
The canonical SMILES for 2-butyl-5-methoxy-9-methylcarbazole is CCCCc1ccc2c3c(OC)cccc3n(C)c2c1.
What is the InChIKey of 2-butyl-5-methoxy-9-methylcarbazole?
The InChIKey is OFFRLEQWIRQVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-4-5-7-13-10-11-14-16(12-13)19(2)15-8-6-9-17(20-3)18(14)15/h6,8-12H,4-5,7H2,1-3H3.
What are the key properties of 2-butyl-5-methoxy-9-methylcarbazole?
2-butyl-5-methoxy-9-methylcarbazole has a molecular weight of 267.37 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-methoxy-9-methylcarbazole is sourced from PubChem (CID 86239479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).