(1S)-1-(5-chloro-1H-indol-3-yl)propan-1-ol

C11H12ClNO — CID 82758549

IUPAC(1S)-1-(5-chloro-1H-indol-3-yl)propan-1-ol
SMILESCC[C@H](O)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C11H12ClNO/c1-2-11(14)9-6-13-10-4-3-7(12)5-8(9)10/h3-6,11,13-14H,2H2,1H3/t11-/m0/s1
InChIKeyPWASCXWVVAXFPS-NSHDSACASA-N
MW209.68 g/mol
LogP3.26
Rot. Bonds2

About (1S)-1-(5-chloro-1H-indol-3-yl)propan-1-ol

(1S)-1-(5-chloro-1H-indol-3-yl)propan-1-ol (PubChem CID 82758549) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is (1S)-1-(5-chloro-1H-indol-3-yl)propan-1-ol.

Molecular Properties

Compound Name(1S)-1-(5-chloro-1H-indol-3-yl)propan-1-ol
PubChem CID82758549
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC Name(1S)-1-(5-chloro-1H-indol-3-yl)propan-1-ol
SMILESCC[C@H](O)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C11H12ClNO/c1-2-11(14)9-6-13-10-4-3-7(12)5-8(9)10/h3-6,11,13-14H,2H2,1H3/t11-/m0/s1
InChIKeyPWASCXWVVAXFPS-NSHDSACASA-N
XLogP3.26
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-chloro-1H-indol-3-yl)butan-1-ol
CID 118499287
1-(5-chloro-1H-indol-3-yl)ethanol
CID 117195568
1-(5-fluoro-1H-indol-3-yl)propan-1-ol
CID 118499302
5-chloro-3-heptan-3-yl-1H-indole
CID 106985273
(1R)-1-(5-chloro-1H-indol-3-yl)ethanamine
CID 78961660
1-(5-chloro-1H-indol-3-yl)ethanamine
CID 3016992
5-chloro-3-(3-methylbutan-2-yl)-1H-indole
CID 106985155
(2S)-2-amino-2-(5-chloro-1H-indol-3-yl)ethanol
CID 96776234
2-(5-chloro-1H-indol-3-yl)-3-methylbutan-1-amine
CID 82496887
(1R)-1-(6-methyl-1H-indol-3-yl)propan-1-ol
CID 82758344
(1S)-1-(6-methyl-1H-indol-3-yl)propan-1-ol
CID 82758444
(5-chloro-1H-indol-3-yl)-[4-[(1R)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone
CID 155231597

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-chloro-1H-indol-3-yl)propan-1-ol?
The IUPAC name of (1S)-1-(5-chloro-1H-indol-3-yl)propan-1-ol (CID 82758549) is (1S)-1-(5-chloro-1H-indol-3-yl)propan-1-ol.
What is the SMILES notation for (1S)-1-(5-chloro-1H-indol-3-yl)propan-1-ol?
The canonical SMILES for (1S)-1-(5-chloro-1H-indol-3-yl)propan-1-ol is CC[C@H](O)c1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of (1S)-1-(5-chloro-1H-indol-3-yl)propan-1-ol?
The InChIKey is PWASCXWVVAXFPS-NSHDSACASA-N. The full InChI is InChI=1S/C11H12ClNO/c1-2-11(14)9-6-13-10-4-3-7(12)5-8(9)10/h3-6,11,13-14H,2H2,1H3/t11-/m0/s1.
What are the key properties of (1S)-1-(5-chloro-1H-indol-3-yl)propan-1-ol?
(1S)-1-(5-chloro-1H-indol-3-yl)propan-1-ol has a molecular weight of 209.68 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-chloro-1H-indol-3-yl)propan-1-ol is sourced from PubChem (CID 82758549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).