(4-ethylnaphthalen-1-yl)-(5-hydroxy-1-pentylindol-3-yl)methanone

C26H27NO2 — CID 95549470

IUPAC(4-ethylnaphthalen-1-yl)-(5-hydroxy-1-pentylindol-3-yl)methanone
SMILESCCCCCn1cc(C(=O)c2ccc(CC)c3ccccc23)c2cc(O)ccc21
InChIInChI=1S/C26H27NO2/c1-3-5-8-15-27-17-24(23-16-19(28)12-14-25(23)27)26(29)22-13-11-18(4-2)20-9-6-7-10-21(20)22/h6-7,9-14,16-17,28H,3-5,8,15H2,1-2H3
InChIKeyHNBLEUDMHIXXJB-UHFFFAOYSA-N
MW385.51 g/mol
LogP6.48
Rot. Bonds7

About (4-ethylnaphthalen-1-yl)-(5-hydroxy-1-pentylindol-3-yl)methanone

(4-ethylnaphthalen-1-yl)-(5-hydroxy-1-pentylindol-3-yl)methanone (PubChem CID 95549470) has the molecular formula C26H27NO2 and a molecular weight of 385.51 g/mol. Its IUPAC name is (4-ethylnaphthalen-1-yl)-(5-hydroxy-1-pentylindol-3-yl)methanone.

Molecular Properties

Compound Name(4-ethylnaphthalen-1-yl)-(5-hydroxy-1-pentylindol-3-yl)methanone
PubChem CID95549470
Molecular FormulaC26H27NO2
Molecular Weight385.51 g/mol
Exact Mass385.20
IUPAC Name(4-ethylnaphthalen-1-yl)-(5-hydroxy-1-pentylindol-3-yl)methanone
SMILESCCCCCn1cc(C(=O)c2ccc(CC)c3ccccc23)c2cc(O)ccc21
InChIInChI=1S/C26H27NO2/c1-3-5-8-15-27-17-24(23-16-19(28)12-14-25(23)27)26(29)22-13-11-18(4-2)20-9-6-7-10-21(20)22/h6-7,9-14,16-17,28H,3-5,8,15H2,1-2H3
InChIKeyHNBLEUDMHIXXJB-UHFFFAOYSA-N
XLogP6.48
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 56.48
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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Frequently Asked Questions

What is the IUPAC name of (4-ethylnaphthalen-1-yl)-(5-hydroxy-1-pentylindol-3-yl)methanone?
The IUPAC name of (4-ethylnaphthalen-1-yl)-(5-hydroxy-1-pentylindol-3-yl)methanone (CID 95549470) is (4-ethylnaphthalen-1-yl)-(5-hydroxy-1-pentylindol-3-yl)methanone.
What is the SMILES notation for (4-ethylnaphthalen-1-yl)-(5-hydroxy-1-pentylindol-3-yl)methanone?
The canonical SMILES for (4-ethylnaphthalen-1-yl)-(5-hydroxy-1-pentylindol-3-yl)methanone is CCCCCn1cc(C(=O)c2ccc(CC)c3ccccc23)c2cc(O)ccc21.
What is the InChIKey of (4-ethylnaphthalen-1-yl)-(5-hydroxy-1-pentylindol-3-yl)methanone?
The InChIKey is HNBLEUDMHIXXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO2/c1-3-5-8-15-27-17-24(23-16-19(28)12-14-25(23)27)26(29)22-13-11-18(4-2)20-9-6-7-10-21(20)22/h6-7,9-14,16-17,28H,3-5,8,15H2,1-2H3.
What are the key properties of (4-ethylnaphthalen-1-yl)-(5-hydroxy-1-pentylindol-3-yl)methanone?
(4-ethylnaphthalen-1-yl)-(5-hydroxy-1-pentylindol-3-yl)methanone has a molecular weight of 385.51 g/mol, XLogP of 6.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylnaphthalen-1-yl)-(5-hydroxy-1-pentylindol-3-yl)methanone is sourced from PubChem (CID 95549470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).