ethanol;2-(1H-indol-2-yl)acetic acid

C12H15NO3 — CID 157082351

IUPACethanol;2-(1H-indol-2-yl)acetic acid
SMILESCCO.O=C(O)Cc1cc2ccccc2[nH]1
InChIInChI=1S/C10H9NO2.C2H6O/c12-10(13)6-8-5-7-3-1-2-4-9(7)11-8;1-2-3/h1-5,11H,6H2,(H,12,13);3H,2H2,1H3
InChIKeyADRUJDQWYABCQK-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.79
Rot. Bonds2

About ethanol;2-(1H-indol-2-yl)acetic acid

ethanol;2-(1H-indol-2-yl)acetic acid (PubChem CID 157082351) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is ethanol;2-(1H-indol-2-yl)acetic acid.

Molecular Properties

Compound Nameethanol;2-(1H-indol-2-yl)acetic acid
PubChem CID157082351
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Nameethanol;2-(1H-indol-2-yl)acetic acid
SMILESCCO.O=C(O)Cc1cc2ccccc2[nH]1
InChIInChI=1S/C10H9NO2.C2H6O/c12-10(13)6-8-5-7-3-1-2-4-9(7)11-8;1-2-3/h1-5,11H,6H2,(H,12,13);3H,2H2,1H3
InChIKeyADRUJDQWYABCQK-UHFFFAOYSA-N
XLogP1.79
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-(1H-indol-2-yl)acetamide
CID 3274953
8-(1H-indol-2-yl)octanoic acid
CID 54343320
3-(1H-indol-2-yl)-2-methylpropanoic acid
CID 22476899
methyl 2-(1H-indol-2-ylmethyl)prop-2-enoate
CID 68733352
4-(1H-indol-2-yl)butan-2-one
CID 10954278
1H-indol-2-ylmethylcarbamic acid
CID 68691362
1H-indol-2-ylmethyl(methyl)carbamic acid;hydrochloride
CID 158279804
N-(1H-indol-2-ylmethyl)acetamide
CID 66552376
(2S)-1-(1H-indol-2-yl)butan-2-ol;(2R)-3-(1H-indol-2-yl)propane-1,2-diol
CID 159659832
4-(1H-indol-2-yl)butanoic acid;1-methylcyclopropene
CID 174808423
2-(5-formyl-1H-indol-2-yl)acetic acid
CID 22999140
(3S)-3-(1H-indol-2-yl)butanoic acid
CID 96762182

Frequently Asked Questions

What is the IUPAC name of ethanol;2-(1H-indol-2-yl)acetic acid?
The IUPAC name of ethanol;2-(1H-indol-2-yl)acetic acid (CID 157082351) is ethanol;2-(1H-indol-2-yl)acetic acid.
What is the SMILES notation for ethanol;2-(1H-indol-2-yl)acetic acid?
The canonical SMILES for ethanol;2-(1H-indol-2-yl)acetic acid is CCO.O=C(O)Cc1cc2ccccc2[nH]1.
What is the InChIKey of ethanol;2-(1H-indol-2-yl)acetic acid?
The InChIKey is ADRUJDQWYABCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2.C2H6O/c12-10(13)6-8-5-7-3-1-2-4-9(7)11-8;1-2-3/h1-5,11H,6H2,(H,12,13);3H,2H2,1H3.
What are the key properties of ethanol;2-(1H-indol-2-yl)acetic acid?
ethanol;2-(1H-indol-2-yl)acetic acid has a molecular weight of 221.26 g/mol, XLogP of 1.79, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;2-(1H-indol-2-yl)acetic acid is sourced from PubChem (CID 157082351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).