[1-(cyclohexylmethyl)indol-3-yl]-(4-methoxynaphthalen-1-yl)methanone

C27H27NO2 — CID 118796420

IUPAC[1-(cyclohexylmethyl)indol-3-yl]-(4-methoxynaphthalen-1-yl)methanone
SMILESCOc1ccc(C(=O)c2cn(CC3CCCCC3)c3ccccc23)c2ccccc12
InChIInChI=1S/C27H27NO2/c1-30-26-16-15-23(20-11-5-6-13-22(20)26)27(29)24-18-28(17-19-9-3-2-4-10-19)25-14-8-7-12-21(24)25/h5-8,11-16,18-19H,2-4,9-10,17H2,1H3
InChIKeyLMENRXZOUBANKQ-UHFFFAOYSA-N
MW397.52 g/mol
LogP6.61
Rot. Bonds5

About [1-(cyclohexylmethyl)indol-3-yl]-(4-methoxynaphthalen-1-yl)methanone

[1-(cyclohexylmethyl)indol-3-yl]-(4-methoxynaphthalen-1-yl)methanone (PubChem CID 118796420) has the molecular formula C27H27NO2 and a molecular weight of 397.52 g/mol. Its IUPAC name is [1-(cyclohexylmethyl)indol-3-yl]-(4-methoxynaphthalen-1-yl)methanone.

Molecular Properties

Compound Name[1-(cyclohexylmethyl)indol-3-yl]-(4-methoxynaphthalen-1-yl)methanone
PubChem CID118796420
Molecular FormulaC27H27NO2
Molecular Weight397.52 g/mol
Exact Mass397.20
IUPAC Name[1-(cyclohexylmethyl)indol-3-yl]-(4-methoxynaphthalen-1-yl)methanone
SMILESCOc1ccc(C(=O)c2cn(CC3CCCCC3)c3ccccc23)c2ccccc12
InChIInChI=1S/C27H27NO2/c1-30-26-16-15-23(20-11-5-6-13-22(20)26)27(29)24-18-28(17-19-9-3-2-4-10-19)25-14-8-7-12-21(24)25/h5-8,11-16,18-19H,2-4,9-10,17H2,1H3
InChIKeyLMENRXZOUBANKQ-UHFFFAOYSA-N
XLogP6.61
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.52
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(cyclohexylmethyl)indol-3-yl]-(4-methoxynaphthalen-1-yl)methanone?
The IUPAC name of [1-(cyclohexylmethyl)indol-3-yl]-(4-methoxynaphthalen-1-yl)methanone (CID 118796420) is [1-(cyclohexylmethyl)indol-3-yl]-(4-methoxynaphthalen-1-yl)methanone.
What is the SMILES notation for [1-(cyclohexylmethyl)indol-3-yl]-(4-methoxynaphthalen-1-yl)methanone?
The canonical SMILES for [1-(cyclohexylmethyl)indol-3-yl]-(4-methoxynaphthalen-1-yl)methanone is COc1ccc(C(=O)c2cn(CC3CCCCC3)c3ccccc23)c2ccccc12.
What is the InChIKey of [1-(cyclohexylmethyl)indol-3-yl]-(4-methoxynaphthalen-1-yl)methanone?
The InChIKey is LMENRXZOUBANKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27NO2/c1-30-26-16-15-23(20-11-5-6-13-22(20)26)27(29)24-18-28(17-19-9-3-2-4-10-19)25-14-8-7-12-21(24)25/h5-8,11-16,18-19H,2-4,9-10,17H2,1H3.
What are the key properties of [1-(cyclohexylmethyl)indol-3-yl]-(4-methoxynaphthalen-1-yl)methanone?
[1-(cyclohexylmethyl)indol-3-yl]-(4-methoxynaphthalen-1-yl)methanone has a molecular weight of 397.52 g/mol, XLogP of 6.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohexylmethyl)indol-3-yl]-(4-methoxynaphthalen-1-yl)methanone is sourced from PubChem (CID 118796420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).