(3R)-3-(5-bromo-1H-indol-3-yl)butan-1-ol

C12H14BrNO — CID 57332046

IUPAC(3R)-3-(5-bromo-1H-indol-3-yl)butan-1-ol
SMILESC[C@H](CCO)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C12H14BrNO/c1-8(4-5-15)11-7-14-12-3-2-9(13)6-10(11)12/h2-3,6-8,14-15H,4-5H2,1H3/t8-/m1/s1
InChIKeyZWLXBIQSGAEQDQ-MRVPVSSYSA-N
MW268.15 g/mol
LogP3.42
Rot. Bonds3

About (3R)-3-(5-bromo-1H-indol-3-yl)butan-1-ol

(3R)-3-(5-bromo-1H-indol-3-yl)butan-1-ol (PubChem CID 57332046) has the molecular formula C12H14BrNO and a molecular weight of 268.15 g/mol. Its IUPAC name is (3R)-3-(5-bromo-1H-indol-3-yl)butan-1-ol.

Molecular Properties

Compound Name(3R)-3-(5-bromo-1H-indol-3-yl)butan-1-ol
PubChem CID57332046
Molecular FormulaC12H14BrNO
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name(3R)-3-(5-bromo-1H-indol-3-yl)butan-1-ol
SMILESC[C@H](CCO)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C12H14BrNO/c1-8(4-5-15)11-7-14-12-3-2-9(13)6-10(11)12/h2-3,6-8,14-15H,4-5H2,1H3/t8-/m1/s1
InChIKeyZWLXBIQSGAEQDQ-MRVPVSSYSA-N
XLogP3.42
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-3-butan-2-yl-1H-indole
CID 106985240
(3R)-3-amino-3-(5-bromo-1H-indol-3-yl)propan-1-ol
CID 97297266
(1R)-1-(5-bromo-1H-indol-3-yl)ethanamine
CID 79018503
(3R)-3-(1H-indol-3-yl)butan-1-ol
CID 93483686
(1S)-1-(5-bromo-1H-indol-3-yl)ethanamine;hydrochloride
CID 171225851
5-bromo-3-(3-methylbutan-2-yl)-1H-indole
CID 106985167
(1R)-1-(5-bromo-1H-indol-3-yl)propan-1-amine
CID 79015819
(2R)-2-(5-bromo-1H-indol-3-yl)-2-phenylethanol
CID 10892445
(1R)-1-(5-bromo-1H-indol-3-yl)pentan-1-amine
CID 171206282
N-[1-(5-bromo-1H-indol-3-yl)ethyl]ethanimine oxide
CID 89349105
(1S)-1-(5-bromo-1H-indol-3-yl)-3-fluoropropan-1-amine
CID 171225867
2-(5-bromo-1H-indol-3-yl)-2-hydroxyacetic acid
CID 115073394

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(5-bromo-1H-indol-3-yl)butan-1-ol?
The IUPAC name of (3R)-3-(5-bromo-1H-indol-3-yl)butan-1-ol (CID 57332046) is (3R)-3-(5-bromo-1H-indol-3-yl)butan-1-ol.
What is the SMILES notation for (3R)-3-(5-bromo-1H-indol-3-yl)butan-1-ol?
The canonical SMILES for (3R)-3-(5-bromo-1H-indol-3-yl)butan-1-ol is C[C@H](CCO)c1c[nH]c2ccc(Br)cc12.
What is the InChIKey of (3R)-3-(5-bromo-1H-indol-3-yl)butan-1-ol?
The InChIKey is ZWLXBIQSGAEQDQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H14BrNO/c1-8(4-5-15)11-7-14-12-3-2-9(13)6-10(11)12/h2-3,6-8,14-15H,4-5H2,1H3/t8-/m1/s1.
What are the key properties of (3R)-3-(5-bromo-1H-indol-3-yl)butan-1-ol?
(3R)-3-(5-bromo-1H-indol-3-yl)butan-1-ol has a molecular weight of 268.15 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(5-bromo-1H-indol-3-yl)butan-1-ol is sourced from PubChem (CID 57332046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).