ethyl 2-(5-phenylmethoxy-1H-indol-3-yl)cyclopropane-1-carboxylate

C21H21NO3 — CID 66819023

IUPACethyl 2-(5-phenylmethoxy-1H-indol-3-yl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1c1c[nH]c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C21H21NO3/c1-2-24-21(23)18-11-16(18)19-12-22-20-9-8-15(10-17(19)20)25-13-14-6-4-3-5-7-14/h3-10,12,16,18,22H,2,11,13H2,1H3
InChIKeyMOVLRAXSQFOEPD-UHFFFAOYSA-N
MW335.40 g/mol
LogP4.41
Rot. Bonds6

About ethyl 2-(5-phenylmethoxy-1H-indol-3-yl)cyclopropane-1-carboxylate

ethyl 2-(5-phenylmethoxy-1H-indol-3-yl)cyclopropane-1-carboxylate (PubChem CID 66819023) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is ethyl 2-(5-phenylmethoxy-1H-indol-3-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(5-phenylmethoxy-1H-indol-3-yl)cyclopropane-1-carboxylate
PubChem CID66819023
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Nameethyl 2-(5-phenylmethoxy-1H-indol-3-yl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1c1c[nH]c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C21H21NO3/c1-2-24-21(23)18-11-16(18)19-12-22-20-9-8-15(10-17(19)20)25-13-14-6-4-3-5-7-14/h3-10,12,16,18,22H,2,11,13H2,1H3
InChIKeyMOVLRAXSQFOEPD-UHFFFAOYSA-N
XLogP4.41
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-ethyl (1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxylate
CID 66714771
diethyl 2-amino-2-[(5-phenylmethoxy-1H-indol-3-yl)methyl]propanedioate
CID 11502438
ethyl 2-(5-phenylmethoxy-1H-indol-3-yl)acetate;nitromethane
CID 142512839
ethyl (E)-4-(5-phenylmethoxy-1H-indol-3-yl)but-2-enoate
CID 19372353
2-(5-phenylmethoxy-1H-indol-3-yl)acetohydrazide
CID 24801935
ethyl (2S)-3-nitro-2-(5-phenylmethoxy-1H-indol-3-yl)propanoate
CID 155160271
2-chloro-1-(5-phenylmethoxy-1H-indol-3-yl)ethanone
CID 10891912
(E)-2-phenyl-3-(5-phenylmethoxy-1H-indol-3-yl)prop-2-enamide
CID 71769665
2-acetamido-3-ethoxy-3-oxo-2-[(5-phenylmethoxy-1H-indol-3-yl)methyl]propanoic acid
CID 154287399
6-phenylmethoxy-1-(5-phenylmethoxy-1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole
CID 20779585
3-(3-methylbut-2-enyl)-5-phenylmethoxy-1H-indole
CID 10935197
ethyl 2-phenylcyclopropane-1-carboxylate;2-phenylcyclopropane-1-carboxylic acid
CID 70636165

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-phenylmethoxy-1H-indol-3-yl)cyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-(5-phenylmethoxy-1H-indol-3-yl)cyclopropane-1-carboxylate (CID 66819023) is ethyl 2-(5-phenylmethoxy-1H-indol-3-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-(5-phenylmethoxy-1H-indol-3-yl)cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-(5-phenylmethoxy-1H-indol-3-yl)cyclopropane-1-carboxylate is CCOC(=O)C1CC1c1c[nH]c2ccc(OCc3ccccc3)cc12.
What is the InChIKey of ethyl 2-(5-phenylmethoxy-1H-indol-3-yl)cyclopropane-1-carboxylate?
The InChIKey is MOVLRAXSQFOEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c1-2-24-21(23)18-11-16(18)19-12-22-20-9-8-15(10-17(19)20)25-13-14-6-4-3-5-7-14/h3-10,12,16,18,22H,2,11,13H2,1H3.
What are the key properties of ethyl 2-(5-phenylmethoxy-1H-indol-3-yl)cyclopropane-1-carboxylate?
ethyl 2-(5-phenylmethoxy-1H-indol-3-yl)cyclopropane-1-carboxylate has a molecular weight of 335.40 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-phenylmethoxy-1H-indol-3-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 66819023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).