ethyl 4-methyl-2-phenyl-1H-indole-3-carboxylate

C18H17NO2 — CID 138982192

IUPACethyl 4-methyl-2-phenyl-1H-indole-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)[nH]c2cccc(C)c12
InChIInChI=1S/C18H17NO2/c1-3-21-18(20)16-15-12(2)8-7-11-14(15)19-17(16)13-9-5-4-6-10-13/h4-11,19H,3H2,1-2H3
InChIKeyJTCXACYSAXGCJE-UHFFFAOYSA-N
MW279.34 g/mol
LogP4.32
Rot. Bonds3

About ethyl 4-methyl-2-phenyl-1H-indole-3-carboxylate

ethyl 4-methyl-2-phenyl-1H-indole-3-carboxylate (PubChem CID 138982192) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is ethyl 4-methyl-2-phenyl-1H-indole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-phenyl-1H-indole-3-carboxylate
PubChem CID138982192
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Nameethyl 4-methyl-2-phenyl-1H-indole-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)[nH]c2cccc(C)c12
InChIInChI=1S/C18H17NO2/c1-3-21-18(20)16-15-12(2)8-7-11-14(15)19-17(16)13-9-5-4-6-10-13/h4-11,19H,3H2,1-2H3
InChIKeyJTCXACYSAXGCJE-UHFFFAOYSA-N
XLogP4.32
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-methyl-6-phenylbenzoate
CID 86249615
ethyl 4-acetyl-5-methyl-2-phenyl-1H-pyrrole-3-carboxylate
CID 86237031
4-ethyl-2-phenyl-1H-indole-3-carboxamide
CID 71082978
ethyl 2,6-dimethylbenzoate
CID 520807
ethyl 2,5-dimethyl-4-(2-phenyl-1H-indol-3-yl)furan-3-carboxylate
CID 10406161
ethyl 4-(hydroxymethyl)-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
CID 15398787
diethyl 5-[3,5-bis(ethoxycarbonyl)-4-phenyl-1H-pyrrol-2-yl]-3-phenyl-1H-pyrrole-2,4-dicarboxylate
CID 11731481
ethyl (E)-3-(2-phenyl-1H-indol-3-yl)but-2-enoate
CID 135019342
methyl 2-butyl-4-methyl-1H-indole-3-carboxylate
CID 18946677
ethyl 4-acetyloxy-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
CID 14569474
ethyl 5-methyl-2-(3-methylphenyl)-4-phenyl-1H-pyrrole-3-carboxylate
CID 102491425
ethyl 2-amino-1H-indole-3-carboxylate
CID 1476606

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-phenyl-1H-indole-3-carboxylate?
The IUPAC name of ethyl 4-methyl-2-phenyl-1H-indole-3-carboxylate (CID 138982192) is ethyl 4-methyl-2-phenyl-1H-indole-3-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-phenyl-1H-indole-3-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-phenyl-1H-indole-3-carboxylate is CCOC(=O)c1c(-c2ccccc2)[nH]c2cccc(C)c12.
What is the InChIKey of ethyl 4-methyl-2-phenyl-1H-indole-3-carboxylate?
The InChIKey is JTCXACYSAXGCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-3-21-18(20)16-15-12(2)8-7-11-14(15)19-17(16)13-9-5-4-6-10-13/h4-11,19H,3H2,1-2H3.
What are the key properties of ethyl 4-methyl-2-phenyl-1H-indole-3-carboxylate?
ethyl 4-methyl-2-phenyl-1H-indole-3-carboxylate has a molecular weight of 279.34 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-phenyl-1H-indole-3-carboxylate is sourced from PubChem (CID 138982192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).