ethyl 3-phenylmethoxy-1H-indole-2-carboxylate

C18H17NO3 — CID 11185523

IUPACethyl 3-phenylmethoxy-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2ccccc2c1OCc1ccccc1
InChIInChI=1S/C18H17NO3/c1-2-21-18(20)16-17(14-10-6-7-11-15(14)19-16)22-12-13-8-4-3-5-9-13/h3-11,19H,2,12H2,1H3
InChIKeySMQFGCKNMIGLGP-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.92
Rot. Bonds5

About ethyl 3-phenylmethoxy-1H-indole-2-carboxylate

ethyl 3-phenylmethoxy-1H-indole-2-carboxylate (PubChem CID 11185523) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is ethyl 3-phenylmethoxy-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-phenylmethoxy-1H-indole-2-carboxylate
PubChem CID11185523
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Nameethyl 3-phenylmethoxy-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2ccccc2c1OCc1ccccc1
InChIInChI=1S/C18H17NO3/c1-2-21-18(20)16-17(14-10-6-7-11-15(14)19-16)22-12-13-8-4-3-5-9-13/h3-11,19H,2,12H2,1H3
InChIKeySMQFGCKNMIGLGP-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-phenylmethoxy-1H-indole-2-carboxylate?
The IUPAC name of ethyl 3-phenylmethoxy-1H-indole-2-carboxylate (CID 11185523) is ethyl 3-phenylmethoxy-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 3-phenylmethoxy-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 3-phenylmethoxy-1H-indole-2-carboxylate is CCOC(=O)c1[nH]c2ccccc2c1OCc1ccccc1.
What is the InChIKey of ethyl 3-phenylmethoxy-1H-indole-2-carboxylate?
The InChIKey is SMQFGCKNMIGLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-2-21-18(20)16-17(14-10-6-7-11-15(14)19-16)22-12-13-8-4-3-5-9-13/h3-11,19H,2,12H2,1H3.
What are the key properties of ethyl 3-phenylmethoxy-1H-indole-2-carboxylate?
ethyl 3-phenylmethoxy-1H-indole-2-carboxylate has a molecular weight of 295.34 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-phenylmethoxy-1H-indole-2-carboxylate is sourced from PubChem (CID 11185523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).