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

C19H17NO5 — CID 59088764

IUPAC[3-(5-methoxy-1H-indole-2-carbonyl)phenyl] 3-hydroxypropanoate
SMILESCOc1ccc2[nH]c(C(=O)c3cccc(OC(=O)CCO)c3)cc2c1
InChIInChI=1S/C19H17NO5/c1-24-14-5-6-16-13(10-14)11-17(20-16)19(23)12-3-2-4-15(9-12)25-18(22)7-8-21/h2-6,9-11,20-21H,7-8H2,1H3
InChIKeyOKSHKEGZMLOSGL-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.70
Rot. Bonds6

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

[3-(5-methoxy-1H-indole-2-carbonyl)phenyl] 3-hydroxypropanoate (PubChem CID 59088764) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is [3-(5-methoxy-1H-indole-2-carbonyl)phenyl] 3-hydroxypropanoate.

Molecular Properties

Compound Name[3-(5-methoxy-1H-indole-2-carbonyl)phenyl] 3-hydroxypropanoate
PubChem CID59088764
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Name[3-(5-methoxy-1H-indole-2-carbonyl)phenyl] 3-hydroxypropanoate
SMILESCOc1ccc2[nH]c(C(=O)c3cccc(OC(=O)CCO)c3)cc2c1
InChIInChI=1S/C19H17NO5/c1-24-14-5-6-16-13(10-14)11-17(20-16)19(23)12-3-2-4-15(9-12)25-18(22)7-8-21/h2-6,9-11,20-21H,7-8H2,1H3
InChIKeyOKSHKEGZMLOSGL-UHFFFAOYSA-N
XLogP2.70
TPSA88.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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] butanoate
CID 11142302
(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
(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
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
(2S)-2-[(5-methoxy-1H-indole-2-carbonyl)amino]propanoic acid
CID 110834885
3-(4-methoxy-4-oxobutanoyl)oxybenzoic acid
CID 54854768
3-(5-methoxy-1H-indol-2-yl)propanoic acid
CID 18987712

Frequently Asked Questions

What is the IUPAC name of [3-(5-methoxy-1H-indole-2-carbonyl)phenyl] 3-hydroxypropanoate?
The IUPAC name of [3-(5-methoxy-1H-indole-2-carbonyl)phenyl] 3-hydroxypropanoate (CID 59088764) is [3-(5-methoxy-1H-indole-2-carbonyl)phenyl] 3-hydroxypropanoate.
What is the SMILES notation for [3-(5-methoxy-1H-indole-2-carbonyl)phenyl] 3-hydroxypropanoate?
The canonical SMILES for [3-(5-methoxy-1H-indole-2-carbonyl)phenyl] 3-hydroxypropanoate is COc1ccc2[nH]c(C(=O)c3cccc(OC(=O)CCO)c3)cc2c1.
What is the InChIKey of [3-(5-methoxy-1H-indole-2-carbonyl)phenyl] 3-hydroxypropanoate?
The InChIKey is OKSHKEGZMLOSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c1-24-14-5-6-16-13(10-14)11-17(20-16)19(23)12-3-2-4-15(9-12)25-18(22)7-8-21/h2-6,9-11,20-21H,7-8H2,1H3.
What are the key properties of [3-(5-methoxy-1H-indole-2-carbonyl)phenyl] 3-hydroxypropanoate?
[3-(5-methoxy-1H-indole-2-carbonyl)phenyl] 3-hydroxypropanoate has a molecular weight of 339.35 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-methoxy-1H-indole-2-carbonyl)phenyl] 3-hydroxypropanoate is sourced from PubChem (CID 59088764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).