1-phenylethyl 2-methyl-1H-indole-3-carboxylate

C18H17NO2 — CID 142169853

IUPAC1-phenylethyl 2-methyl-1H-indole-3-carboxylate
SMILESCc1[nH]c2ccccc2c1C(=O)OC(C)c1ccccc1
InChIInChI=1S/C18H17NO2/c1-12-17(15-10-6-7-11-16(15)19-12)18(20)21-13(2)14-8-4-3-5-9-14/h3-11,13,19H,1-2H3
InChIKeyALVUKDBCUWJNNI-UHFFFAOYSA-N
MW279.34 g/mol
LogP4.39
Rot. Bonds3

About 1-phenylethyl 2-methyl-1H-indole-3-carboxylate

1-phenylethyl 2-methyl-1H-indole-3-carboxylate (PubChem CID 142169853) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-phenylethyl 2-methyl-1H-indole-3-carboxylate.

Molecular Properties

Compound Name1-phenylethyl 2-methyl-1H-indole-3-carboxylate
PubChem CID142169853
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name1-phenylethyl 2-methyl-1H-indole-3-carboxylate
SMILESCc1[nH]c2ccccc2c1C(=O)OC(C)c1ccccc1
InChIInChI=1S/C18H17NO2/c1-12-17(15-10-6-7-11-16(15)19-12)18(20)21-13(2)14-8-4-3-5-9-14/h3-11,13,19H,1-2H3
InChIKeyALVUKDBCUWJNNI-UHFFFAOYSA-N
XLogP4.39
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 ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S)-1-phenylethyl] 5-acetyloxy-2-methyl-1H-indole-3-carboxylate
CID 59999368
methyl 2-methyl-1H-indole-3-carboxylate
CID 594174
[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] (2R)-2-hydroxy-2-phenylacetate
CID 7821861
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 2-methyl-1H-indole-3-carboxylate
CID 24519167
1-phenylethyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 16500468
[(1R)-1-phenylethyl] 1H-indole-3-carboxylate
CID 8607675
[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-benzoylbenzoate
CID 7865550
[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 4-bromobenzoate
CID 7889689
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-phenylbutanoate
CID 47003724
(2S)-2-chloro-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 2405282
N,2-dimethyl-1H-indole-3-carboxamide
CID 20800690
CID 170645728
CID 170645728

Frequently Asked Questions

What is the IUPAC name of 1-phenylethyl 2-methyl-1H-indole-3-carboxylate?
The IUPAC name of 1-phenylethyl 2-methyl-1H-indole-3-carboxylate (CID 142169853) is 1-phenylethyl 2-methyl-1H-indole-3-carboxylate.
What is the SMILES notation for 1-phenylethyl 2-methyl-1H-indole-3-carboxylate?
The canonical SMILES for 1-phenylethyl 2-methyl-1H-indole-3-carboxylate is Cc1[nH]c2ccccc2c1C(=O)OC(C)c1ccccc1.
What is the InChIKey of 1-phenylethyl 2-methyl-1H-indole-3-carboxylate?
The InChIKey is ALVUKDBCUWJNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-12-17(15-10-6-7-11-16(15)19-12)18(20)21-13(2)14-8-4-3-5-9-14/h3-11,13,19H,1-2H3.
What are the key properties of 1-phenylethyl 2-methyl-1H-indole-3-carboxylate?
1-phenylethyl 2-methyl-1H-indole-3-carboxylate has a molecular weight of 279.34 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylethyl 2-methyl-1H-indole-3-carboxylate is sourced from PubChem (CID 142169853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).