methyl 4-[2-(1H-indol-2-yl)ethoxy]benzoate

C18H17NO3 — CID 18928558

IUPACmethyl 4-[2-(1H-indol-2-yl)ethoxy]benzoate
SMILESCOC(=O)c1ccc(OCCc2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C18H17NO3/c1-21-18(20)13-6-8-16(9-7-13)22-11-10-15-12-14-4-2-3-5-17(14)19-15/h2-9,12,19H,10-11H2,1H3
InChIKeyUMZWQTVDYHNTKG-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.58
Rot. Bonds5

About methyl 4-[2-(1H-indol-2-yl)ethoxy]benzoate

methyl 4-[2-(1H-indol-2-yl)ethoxy]benzoate (PubChem CID 18928558) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is methyl 4-[2-(1H-indol-2-yl)ethoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-(1H-indol-2-yl)ethoxy]benzoate
PubChem CID18928558
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Namemethyl 4-[2-(1H-indol-2-yl)ethoxy]benzoate
SMILESCOC(=O)c1ccc(OCCc2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C18H17NO3/c1-21-18(20)13-6-8-16(9-7-13)22-11-10-15-12-14-4-2-3-5-17(14)19-15/h2-9,12,19H,10-11H2,1H3
InChIKeyUMZWQTVDYHNTKG-UHFFFAOYSA-N
XLogP3.58
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]propyl]-1H-indole-6-carboxylate
CID 139924667
methyl 2-(2-methylpropyl)-1H-indole-6-carboxylate
CID 22627278
dimethyl 2-(1H-indol-2-ylmethyl)propanedioate
CID 132519173
4-(1H-indol-2-yl)butan-2-one
CID 10954278
N-[2-(1H-indol-2-yl)ethyl]acetamide
CID 10465460
methyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate
CID 104560522
2-(4-fluorophenoxy)ethyl 1H-indole-2-carboxylate
CID 7713495
2-(1H-indol-2-yl)-N-methoxyethanamine
CID 154141059
methyl 4-(2-propanoyloxyethoxy)benzoate
CID 59386419
methyl 4-[4-(2-methoxyphenoxy)butoxy]benzoate
CID 16614189
methyl 4-[2-(4-bromophenyl)ethoxy]benzoate
CID 66812433
methyl 4-[10-(4-phenylmethoxycarbonylphenoxy)decoxy]benzoate
CID 149220381

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(1H-indol-2-yl)ethoxy]benzoate?
The IUPAC name of methyl 4-[2-(1H-indol-2-yl)ethoxy]benzoate (CID 18928558) is methyl 4-[2-(1H-indol-2-yl)ethoxy]benzoate.
What is the SMILES notation for methyl 4-[2-(1H-indol-2-yl)ethoxy]benzoate?
The canonical SMILES for methyl 4-[2-(1H-indol-2-yl)ethoxy]benzoate is COC(=O)c1ccc(OCCc2cc3ccccc3[nH]2)cc1.
What is the InChIKey of methyl 4-[2-(1H-indol-2-yl)ethoxy]benzoate?
The InChIKey is UMZWQTVDYHNTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-21-18(20)13-6-8-16(9-7-13)22-11-10-15-12-14-4-2-3-5-17(14)19-15/h2-9,12,19H,10-11H2,1H3.
What are the key properties of methyl 4-[2-(1H-indol-2-yl)ethoxy]benzoate?
methyl 4-[2-(1H-indol-2-yl)ethoxy]benzoate has a molecular weight of 295.34 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(1H-indol-2-yl)ethoxy]benzoate is sourced from PubChem (CID 18928558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).