[1-(5-hydroxyhexyl)indol-3-yl]-naphthalen-1-ylmethanone

C25H25NO2 — CID 117065193

IUPAC[1-(5-hydroxyhexyl)indol-3-yl]-naphthalen-1-ylmethanone
SMILESCC(O)CCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21
InChIInChI=1S/C25H25NO2/c1-18(27)9-6-7-16-26-17-23(21-13-4-5-15-24(21)26)25(28)22-14-8-11-19-10-2-3-12-20(19)22/h2-5,8,10-15,17-18,27H,6-7,9,16H2,1H3
InChIKeyOMWLYFDUQMJPOS-UHFFFAOYSA-N
MW371.48 g/mol
LogP5.58
Rot. Bonds7

About [1-(5-hydroxyhexyl)indol-3-yl]-naphthalen-1-ylmethanone

[1-(5-hydroxyhexyl)indol-3-yl]-naphthalen-1-ylmethanone (PubChem CID 117065193) has the molecular formula C25H25NO2 and a molecular weight of 371.48 g/mol. Its IUPAC name is [1-(5-hydroxyhexyl)indol-3-yl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[1-(5-hydroxyhexyl)indol-3-yl]-naphthalen-1-ylmethanone
PubChem CID117065193
Molecular FormulaC25H25NO2
Molecular Weight371.48 g/mol
Exact Mass371.19
IUPAC Name[1-(5-hydroxyhexyl)indol-3-yl]-naphthalen-1-ylmethanone
SMILESCC(O)CCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21
InChIInChI=1S/C25H25NO2/c1-18(27)9-6-7-16-26-17-23(21-13-4-5-15-24(21)26)25(28)22-14-8-11-19-10-2-3-12-20(19)22/h2-5,8,10-15,17-18,27H,6-7,9,16H2,1H3
InChIKeyOMWLYFDUQMJPOS-UHFFFAOYSA-N
XLogP5.58
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[1-(5-fluoro-4-hydroxypentyl)indol-3-yl]-naphthalen-1-ylmethanone
CID 91713112
[1-[(4S)-4-hydroxypentyl]indol-3-yl]-(4-methylnaphthalen-1-yl)methanone
CID 97301455
[1-(5-aminopentyl)indol-3-yl]-naphthalen-1-ylmethanone
CID 155516632
[1-[(3S)-3-chloropentyl]indol-3-yl]-naphthalen-1-ylmethanone
CID 125181380
ethyl 4-[3-(naphthalene-1-carbonyl)indol-1-yl]butanoate
CID 72948236
[1-(4-hydroxypentyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 91736656
(1-butylindol-3-yl)-naphthalen-1-ylmethanone;(4-chloronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone;naphthalen-1-yl-(1-pentylindol-3-yl)methanone
CID 159355298
[1-(2,2,3,3,4,4,4-heptadeuteriobutyl)indol-3-yl]-naphthalen-1-ylmethanone
CID 53394763
[1-(2-fluoropentyl)indol-3-yl]-naphthalen-1-ylmethanone
CID 132989243
(8-chloronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
CID 71463154
(1-butyl-4-hydroxyindol-3-yl)-naphthalen-1-ylmethanone
CID 53394452
(8-iodonaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
CID 71454234

Frequently Asked Questions

What is the IUPAC name of [1-(5-hydroxyhexyl)indol-3-yl]-naphthalen-1-ylmethanone?
The IUPAC name of [1-(5-hydroxyhexyl)indol-3-yl]-naphthalen-1-ylmethanone (CID 117065193) is [1-(5-hydroxyhexyl)indol-3-yl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [1-(5-hydroxyhexyl)indol-3-yl]-naphthalen-1-ylmethanone?
The canonical SMILES for [1-(5-hydroxyhexyl)indol-3-yl]-naphthalen-1-ylmethanone is CC(O)CCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21.
What is the InChIKey of [1-(5-hydroxyhexyl)indol-3-yl]-naphthalen-1-ylmethanone?
The InChIKey is OMWLYFDUQMJPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO2/c1-18(27)9-6-7-16-26-17-23(21-13-4-5-15-24(21)26)25(28)22-14-8-11-19-10-2-3-12-20(19)22/h2-5,8,10-15,17-18,27H,6-7,9,16H2,1H3.
What are the key properties of [1-(5-hydroxyhexyl)indol-3-yl]-naphthalen-1-ylmethanone?
[1-(5-hydroxyhexyl)indol-3-yl]-naphthalen-1-ylmethanone has a molecular weight of 371.48 g/mol, XLogP of 5.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-hydroxyhexyl)indol-3-yl]-naphthalen-1-ylmethanone is sourced from PubChem (CID 117065193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).