(1R)-1-(4-propan-2-yloxy-1H-indol-3-yl)propan-1-ol

C14H19NO2 — CID 83173271

IUPAC(1R)-1-(4-propan-2-yloxy-1H-indol-3-yl)propan-1-ol
SMILESCC[C@@H](O)c1c[nH]c2cccc(OC(C)C)c12
InChIInChI=1S/C14H19NO2/c1-4-12(16)10-8-15-11-6-5-7-13(14(10)11)17-9(2)3/h5-9,12,15-16H,4H2,1-3H3/t12-/m1/s1
InChIKeyWTZXHMKADIWZFY-GFCCVEGCSA-N
MW233.31 g/mol
LogP3.40
Rot. Bonds4

About (1R)-1-(4-propan-2-yloxy-1H-indol-3-yl)propan-1-ol

(1R)-1-(4-propan-2-yloxy-1H-indol-3-yl)propan-1-ol (PubChem CID 83173271) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (1R)-1-(4-propan-2-yloxy-1H-indol-3-yl)propan-1-ol.

Molecular Properties

Compound Name(1R)-1-(4-propan-2-yloxy-1H-indol-3-yl)propan-1-ol
PubChem CID83173271
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(1R)-1-(4-propan-2-yloxy-1H-indol-3-yl)propan-1-ol
SMILESCC[C@@H](O)c1c[nH]c2cccc(OC(C)C)c12
InChIInChI=1S/C14H19NO2/c1-4-12(16)10-8-15-11-6-5-7-13(14(10)11)17-9(2)3/h5-9,12,15-16H,4H2,1-3H3/t12-/m1/s1
InChIKeyWTZXHMKADIWZFY-GFCCVEGCSA-N
XLogP3.40
TPSA45.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(4-fluoro-1H-indol-3-yl)propan-1-ol
CID 82793918
1-(4-methoxy-1H-indol-3-yl)ethanol
CID 117194998
(1S)-1-(4-methoxy-1H-indol-3-yl)ethanol
CID 83173825
2,3-dimethyl-1-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one
CID 83163402
2-(4-propan-2-yloxy-1H-indol-3-yl)acetonitrile
CID 115563251
1-(4-propan-2-yloxy-1H-indol-3-yl)hexan-1-one
CID 83162556
2-[(3-butan-2-yl-1H-indol-4-yl)oxy]acetic acid
CID 71737103
4-methyl-1-(4-propan-2-yloxy-1H-indol-3-yl)pentan-1-one
CID 83163248
N,N-dimethyl-2-(4-propan-2-yloxy-1H-indol-3-yl)ethanamine
CID 131852240
piperidin-4-yl-(4-propoxy-1H-indol-3-yl)methanol
CID 83164729
3-bromo-4-oxo-4-(4-propan-2-yloxy-1H-indol-3-yl)butanoic acid
CID 83164421
1-(dimethylamino)-2-(4-methoxy-1H-indol-3-yl)butane-1,1-diol
CID 166106894

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-propan-2-yloxy-1H-indol-3-yl)propan-1-ol?
The IUPAC name of (1R)-1-(4-propan-2-yloxy-1H-indol-3-yl)propan-1-ol (CID 83173271) is (1R)-1-(4-propan-2-yloxy-1H-indol-3-yl)propan-1-ol.
What is the SMILES notation for (1R)-1-(4-propan-2-yloxy-1H-indol-3-yl)propan-1-ol?
The canonical SMILES for (1R)-1-(4-propan-2-yloxy-1H-indol-3-yl)propan-1-ol is CC[C@@H](O)c1c[nH]c2cccc(OC(C)C)c12.
What is the InChIKey of (1R)-1-(4-propan-2-yloxy-1H-indol-3-yl)propan-1-ol?
The InChIKey is WTZXHMKADIWZFY-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19NO2/c1-4-12(16)10-8-15-11-6-5-7-13(14(10)11)17-9(2)3/h5-9,12,15-16H,4H2,1-3H3/t12-/m1/s1.
What are the key properties of (1R)-1-(4-propan-2-yloxy-1H-indol-3-yl)propan-1-ol?
(1R)-1-(4-propan-2-yloxy-1H-indol-3-yl)propan-1-ol has a molecular weight of 233.31 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-propan-2-yloxy-1H-indol-3-yl)propan-1-ol is sourced from PubChem (CID 83173271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).