methyl 9-(cyclohexylmethyl)-7-methoxycarbazole-3-carboxylate

C22H25NO3 — CID 56651695

IUPACmethyl 9-(cyclohexylmethyl)-7-methoxycarbazole-3-carboxylate
SMILESCOC(=O)c1ccc2c(c1)c1ccc(OC)cc1n2CC1CCCCC1
InChIInChI=1S/C22H25NO3/c1-25-17-9-10-18-19-12-16(22(24)26-2)8-11-20(19)23(21(18)13-17)14-15-6-4-3-5-7-15/h8-13,15H,3-7,14H2,1-2H3
InChIKeyZDEOPHCWDZSFEG-UHFFFAOYSA-N
MW351.45 g/mol
LogP5.17
Rot. Bonds4

About methyl 9-(cyclohexylmethyl)-7-methoxycarbazole-3-carboxylate

methyl 9-(cyclohexylmethyl)-7-methoxycarbazole-3-carboxylate (PubChem CID 56651695) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is methyl 9-(cyclohexylmethyl)-7-methoxycarbazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 9-(cyclohexylmethyl)-7-methoxycarbazole-3-carboxylate
PubChem CID56651695
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Namemethyl 9-(cyclohexylmethyl)-7-methoxycarbazole-3-carboxylate
SMILESCOC(=O)c1ccc2c(c1)c1ccc(OC)cc1n2CC1CCCCC1
InChIInChI=1S/C22H25NO3/c1-25-17-9-10-18-19-12-16(22(24)26-2)8-11-20(19)23(21(18)13-17)14-15-6-4-3-5-7-15/h8-13,15H,3-7,14H2,1-2H3
InChIKeyZDEOPHCWDZSFEG-UHFFFAOYSA-N
XLogP5.17
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.45
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 7-methoxy-9-pentylcarbazole-3-carboxylate
CID 66739573
ethyl 2-[1-(cyclohexylmethyl)-5-methoxy-2-methylindol-3-yl]acetate
CID 10759813
methyl 1-(cyclobutylmethyl)-2-methylindole-6-carboxylate
CID 171845799
7-methoxy-9-pentylcarbazole-3-carboxylic acid
CID 66739603
methyl 3-cyclopentyl-2-(4-methoxyphenyl)-1-methylindole-6-carboxylate
CID 59127758
2-cyclohexyl-1-(6-methoxynaphthalen-2-yl)ethanone
CID 63491322
methyl 3-cyclopentyl-1-methylindazole-5-carboxylate
CID 171772847
methyl 1-(2-aminoethyl)-2-bromo-3-cyclohexylindole-6-carboxylate
CID 23152393
4-[3-cyano-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]-N-cyclopropylbenzenesulfonamide
CID 58694365
3-[(cyclooctylamino)methyl]-1-ethyl-6-methoxyindole-2-carboxylic acid
CID 53208669
methyl 2-bromo-1-cyclohexyl-3-methylindole-5-carboxylate
CID 58907401
N-[4-[3-amino-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]propane-2-sulfonamide
CID 70844134

Frequently Asked Questions

What is the IUPAC name of methyl 9-(cyclohexylmethyl)-7-methoxycarbazole-3-carboxylate?
The IUPAC name of methyl 9-(cyclohexylmethyl)-7-methoxycarbazole-3-carboxylate (CID 56651695) is methyl 9-(cyclohexylmethyl)-7-methoxycarbazole-3-carboxylate.
What is the SMILES notation for methyl 9-(cyclohexylmethyl)-7-methoxycarbazole-3-carboxylate?
The canonical SMILES for methyl 9-(cyclohexylmethyl)-7-methoxycarbazole-3-carboxylate is COC(=O)c1ccc2c(c1)c1ccc(OC)cc1n2CC1CCCCC1.
What is the InChIKey of methyl 9-(cyclohexylmethyl)-7-methoxycarbazole-3-carboxylate?
The InChIKey is ZDEOPHCWDZSFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3/c1-25-17-9-10-18-19-12-16(22(24)26-2)8-11-20(19)23(21(18)13-17)14-15-6-4-3-5-7-15/h8-13,15H,3-7,14H2,1-2H3.
What are the key properties of methyl 9-(cyclohexylmethyl)-7-methoxycarbazole-3-carboxylate?
methyl 9-(cyclohexylmethyl)-7-methoxycarbazole-3-carboxylate has a molecular weight of 351.45 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-(cyclohexylmethyl)-7-methoxycarbazole-3-carboxylate is sourced from PubChem (CID 56651695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).