[7-(1H-indol-2-yl)naphthalen-2-yl] octanoate

C26H27NO2 — CID 154196533

IUPAC[7-(1H-indol-2-yl)naphthalen-2-yl] octanoate
SMILESCCCCCCCC(=O)Oc1ccc2ccc(-c3cc4ccccc4[nH]3)cc2c1
InChIInChI=1S/C26H27NO2/c1-2-3-4-5-6-11-26(28)29-23-15-14-19-12-13-21(16-22(19)17-23)25-18-20-9-7-8-10-24(20)27-25/h7-10,12-18,27H,2-6,11H2,1H3
InChIKeyAJVVAKLJRLWLKR-UHFFFAOYSA-N
MW385.51 g/mol
LogP7.25
Rot. Bonds8

About [7-(1H-indol-2-yl)naphthalen-2-yl] octanoate

[7-(1H-indol-2-yl)naphthalen-2-yl] octanoate (PubChem CID 154196533) has the molecular formula C26H27NO2 and a molecular weight of 385.51 g/mol. Its IUPAC name is [7-(1H-indol-2-yl)naphthalen-2-yl] octanoate.

Molecular Properties

Compound Name[7-(1H-indol-2-yl)naphthalen-2-yl] octanoate
PubChem CID154196533
Molecular FormulaC26H27NO2
Molecular Weight385.51 g/mol
Exact Mass385.20
IUPAC Name[7-(1H-indol-2-yl)naphthalen-2-yl] octanoate
SMILESCCCCCCCC(=O)Oc1ccc2ccc(-c3cc4ccccc4[nH]3)cc2c1
InChIInChI=1S/C26H27NO2/c1-2-3-4-5-6-11-26(28)29-23-15-14-19-12-13-21(16-22(19)17-23)25-18-20-9-7-8-10-24(20)27-25/h7-10,12-18,27H,2-6,11H2,1H3
InChIKeyAJVVAKLJRLWLKR-UHFFFAOYSA-N
XLogP7.25
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 57.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

naphthalen-2-yl hexadecanoate;phenyl hexadecanoate
CID 157132352
7-O-naphthalen-2-yl 1-O-pentyl heptanedioate
CID 91718857
(7-methoxynaphthalen-2-yl) hexanoate
CID 60592520
8-naphthalen-2-yloxy-8-oxooctanoic acid
CID 70617046
[4-(4-octanoyloxyphenyl)phenyl] octanoate
CID 100963923
[4-(4-heptanoyloxyphenyl)phenyl] heptanoate
CID 100963922
naphthalen-2-yl 4-bromobutanoate
CID 532375
phenyl tridecanoate
CID 54389784
phenyl dopentacontanoate
CID 139682818
phenyl hexapentacontanoate
CID 139682998
phenyl hexacosanoate
CID 23321598
phenyl triacontanoate
CID 54018873

Frequently Asked Questions

What is the IUPAC name of [7-(1H-indol-2-yl)naphthalen-2-yl] octanoate?
The IUPAC name of [7-(1H-indol-2-yl)naphthalen-2-yl] octanoate (CID 154196533) is [7-(1H-indol-2-yl)naphthalen-2-yl] octanoate.
What is the SMILES notation for [7-(1H-indol-2-yl)naphthalen-2-yl] octanoate?
The canonical SMILES for [7-(1H-indol-2-yl)naphthalen-2-yl] octanoate is CCCCCCCC(=O)Oc1ccc2ccc(-c3cc4ccccc4[nH]3)cc2c1.
What is the InChIKey of [7-(1H-indol-2-yl)naphthalen-2-yl] octanoate?
The InChIKey is AJVVAKLJRLWLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO2/c1-2-3-4-5-6-11-26(28)29-23-15-14-19-12-13-21(16-22(19)17-23)25-18-20-9-7-8-10-24(20)27-25/h7-10,12-18,27H,2-6,11H2,1H3.
What are the key properties of [7-(1H-indol-2-yl)naphthalen-2-yl] octanoate?
[7-(1H-indol-2-yl)naphthalen-2-yl] octanoate has a molecular weight of 385.51 g/mol, XLogP of 7.25, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(1H-indol-2-yl)naphthalen-2-yl] octanoate is sourced from PubChem (CID 154196533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).