methyl 3-cyclohexyl-2-(2-ethenylphenyl)-1H-indole-6-carboxylate

C24H25NO2 — CID 58765232

IUPACmethyl 3-cyclohexyl-2-(2-ethenylphenyl)-1H-indole-6-carboxylate
SMILESC=Cc1ccccc1-c1[nH]c2cc(C(=O)OC)ccc2c1C1CCCCC1
InChIInChI=1S/C24H25NO2/c1-3-16-9-7-8-12-19(16)23-22(17-10-5-4-6-11-17)20-14-13-18(24(26)27-2)15-21(20)25-23/h3,7-9,12-15,17,25H,1,4-6,10-11H2,2H3
InChIKeyBYUPUGIWGKLIPH-UHFFFAOYSA-N
MW359.47 g/mol
LogP6.31
Rot. Bonds4

About methyl 3-cyclohexyl-2-(2-ethenylphenyl)-1H-indole-6-carboxylate

methyl 3-cyclohexyl-2-(2-ethenylphenyl)-1H-indole-6-carboxylate (PubChem CID 58765232) has the molecular formula C24H25NO2 and a molecular weight of 359.47 g/mol. Its IUPAC name is methyl 3-cyclohexyl-2-(2-ethenylphenyl)-1H-indole-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-cyclohexyl-2-(2-ethenylphenyl)-1H-indole-6-carboxylate
PubChem CID58765232
Molecular FormulaC24H25NO2
Molecular Weight359.47 g/mol
Exact Mass359.19
IUPAC Namemethyl 3-cyclohexyl-2-(2-ethenylphenyl)-1H-indole-6-carboxylate
SMILESC=Cc1ccccc1-c1[nH]c2cc(C(=O)OC)ccc2c1C1CCCCC1
InChIInChI=1S/C24H25NO2/c1-3-16-9-7-8-12-19(16)23-22(17-10-5-4-6-11-17)20-14-13-18(24(26)27-2)15-21(20)25-23/h3,7-9,12-15,17,25H,1,4-6,10-11H2,2H3
InChIKeyBYUPUGIWGKLIPH-UHFFFAOYSA-N
XLogP6.31
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 3-cyclohexyl-2-(2-ethenylphenyl)-1H-indole-6-carboxylate?
The IUPAC name of methyl 3-cyclohexyl-2-(2-ethenylphenyl)-1H-indole-6-carboxylate (CID 58765232) is methyl 3-cyclohexyl-2-(2-ethenylphenyl)-1H-indole-6-carboxylate.
What is the SMILES notation for methyl 3-cyclohexyl-2-(2-ethenylphenyl)-1H-indole-6-carboxylate?
The canonical SMILES for methyl 3-cyclohexyl-2-(2-ethenylphenyl)-1H-indole-6-carboxylate is C=Cc1ccccc1-c1[nH]c2cc(C(=O)OC)ccc2c1C1CCCCC1.
What is the InChIKey of methyl 3-cyclohexyl-2-(2-ethenylphenyl)-1H-indole-6-carboxylate?
The InChIKey is BYUPUGIWGKLIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO2/c1-3-16-9-7-8-12-19(16)23-22(17-10-5-4-6-11-17)20-14-13-18(24(26)27-2)15-21(20)25-23/h3,7-9,12-15,17,25H,1,4-6,10-11H2,2H3.
What are the key properties of methyl 3-cyclohexyl-2-(2-ethenylphenyl)-1H-indole-6-carboxylate?
methyl 3-cyclohexyl-2-(2-ethenylphenyl)-1H-indole-6-carboxylate has a molecular weight of 359.47 g/mol, XLogP of 6.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclohexyl-2-(2-ethenylphenyl)-1H-indole-6-carboxylate is sourced from PubChem (CID 58765232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).