1-(1H-indol-4-yl)-2,4-dimethylpentan-1-ol

C15H21NO — CID 114200544

IUPAC1-(1H-indol-4-yl)-2,4-dimethylpentan-1-ol
SMILESCC(C)CC(C)C(O)c1cccc2[nH]ccc12
InChIInChI=1S/C15H21NO/c1-10(2)9-11(3)15(17)13-5-4-6-14-12(13)7-8-16-14/h4-8,10-11,15-17H,9H2,1-3H3
InChIKeyFATTYSBYDYZZFF-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.88
Rot. Bonds4

About 1-(1H-indol-4-yl)-2,4-dimethylpentan-1-ol

1-(1H-indol-4-yl)-2,4-dimethylpentan-1-ol (PubChem CID 114200544) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(1H-indol-4-yl)-2,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name1-(1H-indol-4-yl)-2,4-dimethylpentan-1-ol
PubChem CID114200544
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-(1H-indol-4-yl)-2,4-dimethylpentan-1-ol
SMILESCC(C)CC(C)C(O)c1cccc2[nH]ccc12
InChIInChI=1S/C15H21NO/c1-10(2)9-11(3)15(17)13-5-4-6-14-12(13)7-8-16-14/h4-8,10-11,15-17H,9H2,1-3H3
InChIKeyFATTYSBYDYZZFF-UHFFFAOYSA-N
XLogP3.88
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,2S)-2-amino-1-(1H-indol-4-yl)propan-1-ol
CID 94841904
2-ethyl-1-(1H-indol-4-yl)butan-1-ol
CID 115351832
1-(1H-indol-4-yl)-3-phenylbutan-1-ol
CID 115351872
(1S,2S)-1-amino-1-(1H-indol-4-yl)propan-2-ol
CID 55273031
2-amino-1-(1H-indol-4-yl)ethanol
CID 13186941
3,4-dihydroxy-4-(1H-indol-4-yl)butanenitrile
CID 171901139
4-butan-2-yl-1H-indole;ethane
CID 143835108
3,4-dihydroxy-4-(1H-indol-4-yl)butanamide
CID 171899347
2-amino-2-(1H-indol-4-yl)ethanol
CID 55282534
1-(1H-indol-4-yl)ethanesulfonic acid
CID 21290543
3-amino-1-(1H-indol-4-yl)propan-1-ol
CID 54551349
(1R,2S)-1-amino-1-(1H-indol-4-yl)pentan-2-ol;hydrochloride
CID 171262567

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-4-yl)-2,4-dimethylpentan-1-ol?
The IUPAC name of 1-(1H-indol-4-yl)-2,4-dimethylpentan-1-ol (CID 114200544) is 1-(1H-indol-4-yl)-2,4-dimethylpentan-1-ol.
What is the SMILES notation for 1-(1H-indol-4-yl)-2,4-dimethylpentan-1-ol?
The canonical SMILES for 1-(1H-indol-4-yl)-2,4-dimethylpentan-1-ol is CC(C)CC(C)C(O)c1cccc2[nH]ccc12.
What is the InChIKey of 1-(1H-indol-4-yl)-2,4-dimethylpentan-1-ol?
The InChIKey is FATTYSBYDYZZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-10(2)9-11(3)15(17)13-5-4-6-14-12(13)7-8-16-14/h4-8,10-11,15-17H,9H2,1-3H3.
What are the key properties of 1-(1H-indol-4-yl)-2,4-dimethylpentan-1-ol?
1-(1H-indol-4-yl)-2,4-dimethylpentan-1-ol has a molecular weight of 231.34 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-4-yl)-2,4-dimethylpentan-1-ol is sourced from PubChem (CID 114200544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).