(3,5-dimethylphenyl) 1H-indole-2-carboxylate

C17H15NO2 — CID 150748218

IUPAC(3,5-dimethylphenyl) 1H-indole-2-carboxylate
SMILESCc1cc(C)cc(OC(=O)c2cc3ccccc3[nH]2)c1
InChIInChI=1S/C17H15NO2/c1-11-7-12(2)9-14(8-11)20-17(19)16-10-13-5-3-4-6-15(13)18-16/h3-10,18H,1-2H3
InChIKeyJVHLCICMZYZTTN-UHFFFAOYSA-N
MW265.31 g/mol
LogP4.00
Rot. Bonds2

About (3,5-dimethylphenyl) 1H-indole-2-carboxylate

(3,5-dimethylphenyl) 1H-indole-2-carboxylate (PubChem CID 150748218) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is (3,5-dimethylphenyl) 1H-indole-2-carboxylate.

Molecular Properties

Compound Name(3,5-dimethylphenyl) 1H-indole-2-carboxylate
PubChem CID150748218
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name(3,5-dimethylphenyl) 1H-indole-2-carboxylate
SMILESCc1cc(C)cc(OC(=O)c2cc3ccccc3[nH]2)c1
InChIInChI=1S/C17H15NO2/c1-11-7-12(2)9-14(8-11)20-17(19)16-10-13-5-3-4-6-15(13)18-16/h3-10,18H,1-2H3
InChIKeyJVHLCICMZYZTTN-UHFFFAOYSA-N
XLogP4.00
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-acetamidophenyl) 1H-indole-2-carboxylate
CID 51152616
chloro 1H-indole-2-carboxylate
CID 68813525
ethane;ethyl 1H-indole-2-carboxylate
CID 91376411
3-(1H-indole-2-carbonyloxy)benzoic acid
CID 71564706
(4-nitrophenyl) 1H-indole-2-carboxylate
CID 19897924
N-(3,5-dimethylphenyl)-N-methyl-1H-indole-2-carboxamide
CID 61063579
(1,3,5-trimethylpyrazol-4-yl) 1H-indole-2-carboxylate
CID 154467719
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 1H-indole-2-carboxylate
CID 7466205
ethane;1H-indole-2-carboxylic acid
CID 91052830
butyl 1H-indole-2-carboxylate
CID 54052397
[(1S)-1,2-bis(4-methylphenyl)-2-oxoethyl] 1H-indole-2-carboxylate
CID 7466030
1H-indole-2-carbothioic S-acid
CID 4713092

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl) 1H-indole-2-carboxylate?
The IUPAC name of (3,5-dimethylphenyl) 1H-indole-2-carboxylate (CID 150748218) is (3,5-dimethylphenyl) 1H-indole-2-carboxylate.
What is the SMILES notation for (3,5-dimethylphenyl) 1H-indole-2-carboxylate?
The canonical SMILES for (3,5-dimethylphenyl) 1H-indole-2-carboxylate is Cc1cc(C)cc(OC(=O)c2cc3ccccc3[nH]2)c1.
What is the InChIKey of (3,5-dimethylphenyl) 1H-indole-2-carboxylate?
The InChIKey is JVHLCICMZYZTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-11-7-12(2)9-14(8-11)20-17(19)16-10-13-5-3-4-6-15(13)18-16/h3-10,18H,1-2H3.
What are the key properties of (3,5-dimethylphenyl) 1H-indole-2-carboxylate?
(3,5-dimethylphenyl) 1H-indole-2-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl) 1H-indole-2-carboxylate is sourced from PubChem (CID 150748218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).