[2-(1H-indol-2-yl)phenyl] acetate

C16H13NO2 — CID 155537678

IUPAC[2-(1H-indol-2-yl)phenyl] acetate
SMILESCC(=O)Oc1ccccc1-c1cc2ccccc2[nH]1
InChIInChI=1S/C16H13NO2/c1-11(18)19-16-9-5-3-7-13(16)15-10-12-6-2-4-8-14(12)17-15/h2-10,17H,1H3
InChIKeyCISBDNAVRZDXGO-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.76
Rot. Bonds2

About [2-(1H-indol-2-yl)phenyl] acetate

[2-(1H-indol-2-yl)phenyl] acetate (PubChem CID 155537678) has the molecular formula C16H13NO2 and a molecular weight of 251.28 g/mol. Its IUPAC name is [2-(1H-indol-2-yl)phenyl] acetate.

Molecular Properties

Compound Name[2-(1H-indol-2-yl)phenyl] acetate
PubChem CID155537678
Molecular FormulaC16H13NO2
Molecular Weight251.28 g/mol
Exact Mass251.09
IUPAC Name[2-(1H-indol-2-yl)phenyl] acetate
SMILESCC(=O)Oc1ccccc1-c1cc2ccccc2[nH]1
InChIInChI=1S/C16H13NO2/c1-11(18)19-16-9-5-3-7-13(16)15-10-12-6-2-4-8-14(12)17-15/h2-10,17H,1H3
InChIKeyCISBDNAVRZDXGO-UHFFFAOYSA-N
XLogP3.76
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.76
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

2-(1H-indol-2-yl)phenol;sulfuric acid
CID 155109187
ethyl N-[2-(1H-indol-2-yl)phenyl]carbamate
CID 134835195
2-(5-fluoro-2-methoxyphenyl)-1H-indole
CID 82049249
2-(2-iodophenyl)-1H-indole
CID 12996175
2-amino-3-(1H-indol-2-yl)benzoic acid
CID 150652093
1-[2-(1H-indol-2-yl)phenyl]-3-sulfanylpropan-2-one
CID 58139269
[2-(1H-indol-2-yl)phenyl] 3-methoxy-4-methylbenzenesulfonate
CID 22752024
[2-(2-iodophenyl)phenyl] acetate
CID 134890357
1-[2-(1H-indol-2-yl)phenyl]-3-propan-2-ylurea
CID 20972909
methyl 4-bromo-2-(1H-indol-2-yl)benzoate
CID 150817148
2-(3,4-diethoxyphenyl)-1H-indole;propan-2-one
CID 70629794
2-[2-(1H-indol-2-yl)-3-methylphenyl]-1H-indole
CID 68641137

Frequently Asked Questions

What is the IUPAC name of [2-(1H-indol-2-yl)phenyl] acetate?
The IUPAC name of [2-(1H-indol-2-yl)phenyl] acetate (CID 155537678) is [2-(1H-indol-2-yl)phenyl] acetate.
What is the SMILES notation for [2-(1H-indol-2-yl)phenyl] acetate?
The canonical SMILES for [2-(1H-indol-2-yl)phenyl] acetate is CC(=O)Oc1ccccc1-c1cc2ccccc2[nH]1.
What is the InChIKey of [2-(1H-indol-2-yl)phenyl] acetate?
The InChIKey is CISBDNAVRZDXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c1-11(18)19-16-9-5-3-7-13(16)15-10-12-6-2-4-8-14(12)17-15/h2-10,17H,1H3.
What are the key properties of [2-(1H-indol-2-yl)phenyl] acetate?
[2-(1H-indol-2-yl)phenyl] acetate has a molecular weight of 251.28 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-indol-2-yl)phenyl] acetate is sourced from PubChem (CID 155537678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).