[3-(5-methoxy-1H-indole-2-carbonyl)phenyl] butanoate

C20H19NO4 — CID 11142302

IUPAC[3-(5-methoxy-1H-indole-2-carbonyl)phenyl] butanoate
SMILESCCCC(=O)Oc1cccc(C(=O)c2cc3cc(OC)ccc3[nH]2)c1
InChIInChI=1S/C20H19NO4/c1-3-5-19(22)25-16-7-4-6-13(10-16)20(23)18-12-14-11-15(24-2)8-9-17(14)21-18/h4,6-12,21H,3,5H2,1-2H3
InChIKeyFBHAIQXGJNLLRJ-UHFFFAOYSA-N
MW337.38 g/mol
LogP4.11
Rot. Bonds6

About [3-(5-methoxy-1H-indole-2-carbonyl)phenyl] butanoate

[3-(5-methoxy-1H-indole-2-carbonyl)phenyl] butanoate (PubChem CID 11142302) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is [3-(5-methoxy-1H-indole-2-carbonyl)phenyl] butanoate.

Molecular Properties

Compound Name[3-(5-methoxy-1H-indole-2-carbonyl)phenyl] butanoate
PubChem CID11142302
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name[3-(5-methoxy-1H-indole-2-carbonyl)phenyl] butanoate
SMILESCCCC(=O)Oc1cccc(C(=O)c2cc3cc(OC)ccc3[nH]2)c1
InChIInChI=1S/C20H19NO4/c1-3-5-19(22)25-16-7-4-6-13(10-16)20(23)18-12-14-11-15(24-2)8-9-17(14)21-18/h4,6-12,21H,3,5H2,1-2H3
InChIKeyFBHAIQXGJNLLRJ-UHFFFAOYSA-N
XLogP4.11
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-(5-methoxy-1H-indole-2-carbonyl)phenyl] 3-hydroxypropanoate
CID 59088764
(3,5-dimethoxyphenyl)-(5-methoxy-1H-indol-2-yl)methanone
CID 10403180
[2-(1H-indole-2-carbonyl)-1H-indol-5-yl] 3-phenylpropanoate
CID 5330553
(3-iodophenyl) butanoate
CID 613173
(6-chloro-1H-indol-2-yl)-(5-methoxy-1H-indol-2-yl)methanone
CID 11688408
5-methoxy-N-[2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 113207269
(7-methoxynaphthalen-2-yl) hexanoate
CID 60592520
(8-aminonaphthalen-2-yl) butanoate
CID 14205663
N,5-dimethoxy-N-methyl-1H-indole-2-carboxamide
CID 23003326
(3-methoxyphenyl) 3-aminopropanoate
CID 94254189
N-(aminomethylidene)-5-methoxy-1H-indole-2-carboxamide
CID 123205970
5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide
CID 110847836

Frequently Asked Questions

What is the IUPAC name of [3-(5-methoxy-1H-indole-2-carbonyl)phenyl] butanoate?
The IUPAC name of [3-(5-methoxy-1H-indole-2-carbonyl)phenyl] butanoate (CID 11142302) is [3-(5-methoxy-1H-indole-2-carbonyl)phenyl] butanoate.
What is the SMILES notation for [3-(5-methoxy-1H-indole-2-carbonyl)phenyl] butanoate?
The canonical SMILES for [3-(5-methoxy-1H-indole-2-carbonyl)phenyl] butanoate is CCCC(=O)Oc1cccc(C(=O)c2cc3cc(OC)ccc3[nH]2)c1.
What is the InChIKey of [3-(5-methoxy-1H-indole-2-carbonyl)phenyl] butanoate?
The InChIKey is FBHAIQXGJNLLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-3-5-19(22)25-16-7-4-6-13(10-16)20(23)18-12-14-11-15(24-2)8-9-17(14)21-18/h4,6-12,21H,3,5H2,1-2H3.
What are the key properties of [3-(5-methoxy-1H-indole-2-carbonyl)phenyl] butanoate?
[3-(5-methoxy-1H-indole-2-carbonyl)phenyl] butanoate has a molecular weight of 337.38 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-methoxy-1H-indole-2-carbonyl)phenyl] butanoate is sourced from PubChem (CID 11142302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).