(1S)-1-(4-methoxy-1H-indol-3-yl)ethanol

C11H13NO2 — CID 83173825

IUPAC(1S)-1-(4-methoxy-1H-indol-3-yl)ethanol
SMILESCOc1cccc2[nH]cc([C@H](C)O)c12
InChIInChI=1S/C11H13NO2/c1-7(13)8-6-12-9-4-3-5-10(14-2)11(8)9/h3-7,12-13H,1-2H3/t7-/m0/s1
InChIKeyWWIWHEHCEVJXJO-ZETCQYMHSA-N
MW191.23 g/mol
LogP2.23
Rot. Bonds2

About (1S)-1-(4-methoxy-1H-indol-3-yl)ethanol

(1S)-1-(4-methoxy-1H-indol-3-yl)ethanol (PubChem CID 83173825) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is (1S)-1-(4-methoxy-1H-indol-3-yl)ethanol.

Molecular Properties

Compound Name(1S)-1-(4-methoxy-1H-indol-3-yl)ethanol
PubChem CID83173825
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name(1S)-1-(4-methoxy-1H-indol-3-yl)ethanol
SMILESCOc1cccc2[nH]cc([C@H](C)O)c12
InChIInChI=1S/C11H13NO2/c1-7(13)8-6-12-9-4-3-5-10(14-2)11(8)9/h3-7,12-13H,1-2H3/t7-/m0/s1
InChIKeyWWIWHEHCEVJXJO-ZETCQYMHSA-N
XLogP2.23
TPSA45.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxy-1H-indol-3-yl)ethanol
CID 117194998
(4-methoxy-1H-indol-3-yl)-piperidin-3-ylmethanol
CID 83162965
1-(dimethylamino)-2-(4-methoxy-1H-indol-3-yl)butane-1,1-diol
CID 166106894
3-fluoro-4-methoxy-1H-indole
CID 162696038
1-[(3S)-3-(4-methoxy-1H-indol-3-yl)-3-phenylpropyl]-2-[3-(4-methoxy-1H-indol-3-yl)-3-phenylpropyl]-1,2-dimethylhydrazine
CID 67268953
(1R)-1-(4-propan-2-yloxy-1H-indol-3-yl)propan-1-ol
CID 83173271
4-(4-methoxy-1H-indol-3-yl)-N-methyl-4-phenylbutan-1-amine
CID 58088594
methyl 2-(4-methoxy-1H-indol-3-yl)-2-oxoacetate
CID 53419524
(3E)-N-hydroxy-4-methoxy-1H-indole-3-carboximidoyl chloride
CID 137028256
N'-hydroxy-4-methoxy-1H-indole-3-carboximidamide
CID 135742376
N-[(4-methoxy-1H-indol-3-yl)-phenylmethyl]benzenesulfonamide
CID 102386429
N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine;hydrochloride
CID 132988764

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-methoxy-1H-indol-3-yl)ethanol?
The IUPAC name of (1S)-1-(4-methoxy-1H-indol-3-yl)ethanol (CID 83173825) is (1S)-1-(4-methoxy-1H-indol-3-yl)ethanol.
What is the SMILES notation for (1S)-1-(4-methoxy-1H-indol-3-yl)ethanol?
The canonical SMILES for (1S)-1-(4-methoxy-1H-indol-3-yl)ethanol is COc1cccc2[nH]cc([C@H](C)O)c12.
What is the InChIKey of (1S)-1-(4-methoxy-1H-indol-3-yl)ethanol?
The InChIKey is WWIWHEHCEVJXJO-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H13NO2/c1-7(13)8-6-12-9-4-3-5-10(14-2)11(8)9/h3-7,12-13H,1-2H3/t7-/m0/s1.
What are the key properties of (1S)-1-(4-methoxy-1H-indol-3-yl)ethanol?
(1S)-1-(4-methoxy-1H-indol-3-yl)ethanol has a molecular weight of 191.23 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-methoxy-1H-indol-3-yl)ethanol is sourced from PubChem (CID 83173825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).