2-ethyl-1-(1H-indol-4-yl)butan-1-ol

C14H19NO — CID 115351832

IUPAC2-ethyl-1-(1H-indol-4-yl)butan-1-ol
SMILESCCC(CC)C(O)c1cccc2[nH]ccc12
InChIInChI=1S/C14H19NO/c1-3-10(4-2)14(16)12-6-5-7-13-11(12)8-9-15-13/h5-10,14-16H,3-4H2,1-2H3
InChIKeyIRKBMJGTGKNGER-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.64
Rot. Bonds4

About 2-ethyl-1-(1H-indol-4-yl)butan-1-ol

2-ethyl-1-(1H-indol-4-yl)butan-1-ol (PubChem CID 115351832) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-ethyl-1-(1H-indol-4-yl)butan-1-ol.

Molecular Properties

Compound Name2-ethyl-1-(1H-indol-4-yl)butan-1-ol
PubChem CID115351832
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-ethyl-1-(1H-indol-4-yl)butan-1-ol
SMILESCCC(CC)C(O)c1cccc2[nH]ccc12
InChIInChI=1S/C14H19NO/c1-3-10(4-2)14(16)12-6-5-7-13-11(12)8-9-15-13/h5-10,14-16H,3-4H2,1-2H3
InChIKeyIRKBMJGTGKNGER-UHFFFAOYSA-N
XLogP3.64
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1H-indol-4-yl)-2,4-dimethylpentan-1-ol
CID 114200544
(1R,2S)-2-amino-1-(1H-indol-4-yl)propan-1-ol
CID 94841904
4-butan-2-yl-1H-indole;ethane
CID 143835108
2-amino-1-(1H-indol-4-yl)ethanol
CID 13186941
3,4-dihydroxy-4-(1H-indol-4-yl)butanenitrile
CID 171901139
3,4-dihydroxy-4-(1H-indol-4-yl)butanamide
CID 171899347
(1S,2S)-1-amino-1-(1H-indol-4-yl)propan-2-ol
CID 55273031
(1R,2S)-1-amino-1-(1H-indol-4-yl)pentan-2-ol;hydrochloride
CID 171262567
2-amino-2-(1H-indol-4-yl)ethanol
CID 55282534
(2,6-dichlorophenyl)-(1H-indol-4-yl)methanol
CID 115351810
1-amino-1-(1H-indol-4-yl)propan-2-one
CID 55270275
3-amino-1-(1H-indol-4-yl)propan-1-ol
CID 54551349

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(1H-indol-4-yl)butan-1-ol?
The IUPAC name of 2-ethyl-1-(1H-indol-4-yl)butan-1-ol (CID 115351832) is 2-ethyl-1-(1H-indol-4-yl)butan-1-ol.
What is the SMILES notation for 2-ethyl-1-(1H-indol-4-yl)butan-1-ol?
The canonical SMILES for 2-ethyl-1-(1H-indol-4-yl)butan-1-ol is CCC(CC)C(O)c1cccc2[nH]ccc12.
What is the InChIKey of 2-ethyl-1-(1H-indol-4-yl)butan-1-ol?
The InChIKey is IRKBMJGTGKNGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-3-10(4-2)14(16)12-6-5-7-13-11(12)8-9-15-13/h5-10,14-16H,3-4H2,1-2H3.
What are the key properties of 2-ethyl-1-(1H-indol-4-yl)butan-1-ol?
2-ethyl-1-(1H-indol-4-yl)butan-1-ol has a molecular weight of 217.31 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(1H-indol-4-yl)butan-1-ol is sourced from PubChem (CID 115351832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).