(3R)-3-(1H-indol-3-yl)butan-1-ol

C12H15NO — CID 93483686

IUPAC(3R)-3-(1H-indol-3-yl)butan-1-ol
SMILESC[C@H](CCO)c1c[nH]c2ccccc12
InChIInChI=1S/C12H15NO/c1-9(6-7-14)11-8-13-12-5-3-2-4-10(11)12/h2-5,8-9,13-14H,6-7H2,1H3/t9-/m1/s1
InChIKeyDBLCQDJUAPOYPD-SECBINFHSA-N
MW189.26 g/mol
LogP2.65
Rot. Bonds3

About (3R)-3-(1H-indol-3-yl)butan-1-ol

(3R)-3-(1H-indol-3-yl)butan-1-ol (PubChem CID 93483686) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is (3R)-3-(1H-indol-3-yl)butan-1-ol.

Molecular Properties

Compound Name(3R)-3-(1H-indol-3-yl)butan-1-ol
PubChem CID93483686
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name(3R)-3-(1H-indol-3-yl)butan-1-ol
SMILESC[C@H](CCO)c1c[nH]c2ccccc12
InChIInChI=1S/C12H15NO/c1-9(6-7-14)11-8-13-12-5-3-2-4-10(11)12/h2-5,8-9,13-14H,6-7H2,1H3/t9-/m1/s1
InChIKeyDBLCQDJUAPOYPD-SECBINFHSA-N
XLogP2.65
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1H-indol-3-yl)propan-1-amine
CID 6452095
(3R)-3-(5-bromo-1H-indol-3-yl)butan-1-ol
CID 57332046
2-(1H-indol-3-yl)propan-1-amine;hydrochloride
CID 11970278
3-propan-2-yl-1H-indole
CID 12534824
5-(1H-indol-3-yl)heptan-1-ol
CID 141488119
(3R)-3-(2-chlorophenyl)-3-(1H-indol-3-yl)propan-1-ol
CID 45101575
3-(4-piperazin-1-ylbutan-2-yl)-1H-indole
CID 82300146
(2S,3S)-3-(1H-indol-3-yl)butan-2-ol
CID 130705083
4-(1H-indol-3-yl)-2-methylhexan-1-ol
CID 174277465
N-[3-(1H-indol-3-yl)butyl]pyridin-3-amine
CID 118535460
N-benzyl-2-(1H-indol-3-yl)propan-1-amine
CID 132526366
(3S)-1-(4-bromophenyl)-3-(1H-indol-3-yl)butan-1-one
CID 102311824

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(1H-indol-3-yl)butan-1-ol?
The IUPAC name of (3R)-3-(1H-indol-3-yl)butan-1-ol (CID 93483686) is (3R)-3-(1H-indol-3-yl)butan-1-ol.
What is the SMILES notation for (3R)-3-(1H-indol-3-yl)butan-1-ol?
The canonical SMILES for (3R)-3-(1H-indol-3-yl)butan-1-ol is C[C@H](CCO)c1c[nH]c2ccccc12.
What is the InChIKey of (3R)-3-(1H-indol-3-yl)butan-1-ol?
The InChIKey is DBLCQDJUAPOYPD-SECBINFHSA-N. The full InChI is InChI=1S/C12H15NO/c1-9(6-7-14)11-8-13-12-5-3-2-4-10(11)12/h2-5,8-9,13-14H,6-7H2,1H3/t9-/m1/s1.
What are the key properties of (3R)-3-(1H-indol-3-yl)butan-1-ol?
(3R)-3-(1H-indol-3-yl)butan-1-ol has a molecular weight of 189.26 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1H-indol-3-yl)butan-1-ol is sourced from PubChem (CID 93483686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).