2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)ethanol

C20H20N2O3 — CID 157231418

IUPAC2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)ethanol
SMILESO=C(O)Cc1c[nH]c2ccccc12.OCCc1c[nH]c2ccccc12
InChIInChI=1S/C10H9NO2.C10H11NO/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9;12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,6,11H,5H2,(H,12,13);1-4,7,11-12H,5-6H2
InChIKeyAUDMARWMDUJCCO-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.50
Rot. Bonds4

About 2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)ethanol

2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)ethanol (PubChem CID 157231418) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)ethanol.

Molecular Properties

Compound Name2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)ethanol
PubChem CID157231418
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)ethanol
SMILESO=C(O)Cc1c[nH]c2ccccc12.OCCc1c[nH]c2ccccc12
InChIInChI=1S/C10H9NO2.C10H11NO/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9;12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,6,11H,5H2,(H,12,13);1-4,7,11-12H,5-6H2
InChIKeyAUDMARWMDUJCCO-UHFFFAOYSA-N
XLogP3.50
TPSA89.11 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1H-indol-3-yl)ethanol;nitrous acid
CID 162624024
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CID 174964021
disodium;hydride;4-(1H-indol-3-yl)butanoic acid
CID 174726095
CID 87710053
CID 87710053
aminothiourea;2-(1H-indol-3-yl)acetic acid
CID 87278638
acetic acid;2-(1H-indol-3-yl)ethanamine
CID 57357905
1-(2-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 110894130
3-(1H-indol-3-yl)propanoyloxidanium
CID 142492757
2-(1H-indol-3-ylmethyl)prop-2-enoic acid
CID 10081533
1-hydroxy-11-(1H-indol-3-yl)undecane-2,8-dione
CID 58248576
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
4-(1H-indol-3-yl)butanamide
CID 588715

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)ethanol?
The IUPAC name of 2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)ethanol (CID 157231418) is 2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)ethanol.
What is the SMILES notation for 2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)ethanol?
The canonical SMILES for 2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)ethanol is O=C(O)Cc1c[nH]c2ccccc12.OCCc1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)ethanol?
The InChIKey is AUDMARWMDUJCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2.C10H11NO/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9;12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,6,11H,5H2,(H,12,13);1-4,7,11-12H,5-6H2.
What are the key properties of 2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)ethanol?
2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)ethanol has a molecular weight of 336.39 g/mol, XLogP of 3.50, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)ethanol is sourced from PubChem (CID 157231418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).