acetic acid;1-ethylindol-3-ol

C12H15NO3 — CID 71405602

IUPACacetic acid;1-ethylindol-3-ol
SMILESCC(=O)O.CCn1cc(O)c2ccccc21
InChIInChI=1S/C10H11NO.C2H4O2/c1-2-11-7-10(12)8-5-3-4-6-9(8)11;1-2(3)4/h3-7,12H,2H2,1H3;1H3,(H,3,4)
InChIKeyVYNIPTJWNGJGKI-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.46
Rot. Bonds1

About acetic acid;1-ethylindol-3-ol

acetic acid;1-ethylindol-3-ol (PubChem CID 71405602) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is acetic acid;1-ethylindol-3-ol.

Molecular Properties

Compound Nameacetic acid;1-ethylindol-3-ol
PubChem CID71405602
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Nameacetic acid;1-ethylindol-3-ol
SMILESCC(=O)O.CCn1cc(O)c2ccccc21
InChIInChI=1S/C10H11NO.C2H4O2/c1-2-11-7-10(12)8-5-3-4-6-9(8)11;1-2(3)4/h3-7,12H,2H2,1H3;1H3,(H,3,4)
InChIKeyVYNIPTJWNGJGKI-UHFFFAOYSA-N
XLogP2.46
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-ethylindol-3-yl)propanedioyl dichloride
CID 156786457
(2S)-2-(1-ethylindol-3-yl)butanedioic acid
CID 1096245
(2R)-2-[[2-(1-ethylindol-3-yl)acetyl]amino]propanoic acid
CID 119244285
(Z)-4-(1-ethylindol-3-yl)-1,1,1-trifluoro-4-hydroxybut-3-en-2-one
CID 139168536
tris(1-ethylindol-3-yl)methanol
CID 142757847
2-amino-1-(1-ethylindol-3-yl)-2-methylpropan-1-one;hydrochloride
CID 14069757
2-(1-ethylindol-3-yl)sulfanyl-N-phenylacetamide
CID 3325904
(3-hydroxyindol-1-yl) acetate
CID 54423588
N-[bis(diethylamino)phosphoryl]-1-ethylindole-3-carboxamide
CID 3468790
1,1-diethyl-3-(1-ethylindol-3-yl)urea
CID 40519589
1-(2-hydroxy-3,3-diphenylpropyl)indol-3-ol
CID 174639952
1-ethyl-3-phenylsulfanylindole
CID 126489260

Frequently Asked Questions

What is the IUPAC name of acetic acid;1-ethylindol-3-ol?
The IUPAC name of acetic acid;1-ethylindol-3-ol (CID 71405602) is acetic acid;1-ethylindol-3-ol.
What is the SMILES notation for acetic acid;1-ethylindol-3-ol?
The canonical SMILES for acetic acid;1-ethylindol-3-ol is CC(=O)O.CCn1cc(O)c2ccccc21.
What is the InChIKey of acetic acid;1-ethylindol-3-ol?
The InChIKey is VYNIPTJWNGJGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO.C2H4O2/c1-2-11-7-10(12)8-5-3-4-6-9(8)11;1-2(3)4/h3-7,12H,2H2,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;1-ethylindol-3-ol?
acetic acid;1-ethylindol-3-ol has a molecular weight of 221.26 g/mol, XLogP of 2.46, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1-ethylindol-3-ol is sourced from PubChem (CID 71405602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).