ethyl 5-(4-cyclohexylphenyl)-1-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylate

C32H37NO2 — CID 150713714

IUPACethyl 5-(4-cyclohexylphenyl)-1-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylate
SMILESCCOC(=O)C1Cc2cc(-c3ccc(C4CCCCC4)cc3)ccc2N1c1ccc(C(C)C)cc1
InChIInChI=1S/C32H37NO2/c1-4-35-32(34)31-21-28-20-27(26-12-10-25(11-13-26)24-8-6-5-7-9-24)16-19-30(28)33(31)29-17-14-23(15-18-29)22(2)3/h10-20,22,24,31H,4-9,21H2,1-3H3
InChIKeyJOKSBBBICAXCQY-UHFFFAOYSA-N
MW467.65 g/mol
LogP8.15
Rot. Bonds6

About ethyl 5-(4-cyclohexylphenyl)-1-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylate

ethyl 5-(4-cyclohexylphenyl)-1-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylate (PubChem CID 150713714) has the molecular formula C32H37NO2 and a molecular weight of 467.65 g/mol. Its IUPAC name is ethyl 5-(4-cyclohexylphenyl)-1-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-cyclohexylphenyl)-1-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylate
PubChem CID150713714
Molecular FormulaC32H37NO2
Molecular Weight467.65 g/mol
Exact Mass467.28
IUPAC Nameethyl 5-(4-cyclohexylphenyl)-1-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylate
SMILESCCOC(=O)C1Cc2cc(-c3ccc(C4CCCCC4)cc3)ccc2N1c1ccc(C(C)C)cc1
InChIInChI=1S/C32H37NO2/c1-4-35-32(34)31-21-28-20-27(26-12-10-25(11-13-26)24-8-6-5-7-9-24)16-19-30(28)33(31)29-17-14-23(15-18-29)22(2)3/h10-20,22,24,31H,4-9,21H2,1-3H3
InChIKeyJOKSBBBICAXCQY-UHFFFAOYSA-N
XLogP8.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.65
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-cyclohexylphenyl)-1-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylate?
The IUPAC name of ethyl 5-(4-cyclohexylphenyl)-1-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylate (CID 150713714) is ethyl 5-(4-cyclohexylphenyl)-1-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylate.
What is the SMILES notation for ethyl 5-(4-cyclohexylphenyl)-1-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylate?
The canonical SMILES for ethyl 5-(4-cyclohexylphenyl)-1-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylate is CCOC(=O)C1Cc2cc(-c3ccc(C4CCCCC4)cc3)ccc2N1c1ccc(C(C)C)cc1.
What is the InChIKey of ethyl 5-(4-cyclohexylphenyl)-1-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylate?
The InChIKey is JOKSBBBICAXCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37NO2/c1-4-35-32(34)31-21-28-20-27(26-12-10-25(11-13-26)24-8-6-5-7-9-24)16-19-30(28)33(31)29-17-14-23(15-18-29)22(2)3/h10-20,22,24,31H,4-9,21H2,1-3H3.
What are the key properties of ethyl 5-(4-cyclohexylphenyl)-1-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylate?
ethyl 5-(4-cyclohexylphenyl)-1-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylate has a molecular weight of 467.65 g/mol, XLogP of 8.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-cyclohexylphenyl)-1-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylate is sourced from PubChem (CID 150713714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).