(2R)-1-(1H-indol-6-yl)-3-methylbutane-2,3-diol

C13H17NO2 — CID 162898381

IUPAC(2R)-1-(1H-indol-6-yl)-3-methylbutane-2,3-diol
SMILESCC(C)(O)[C@H](O)Cc1ccc2cc[nH]c2c1
InChIInChI=1S/C13H17NO2/c1-13(2,16)12(15)8-9-3-4-10-5-6-14-11(10)7-9/h3-7,12,14-16H,8H2,1-2H3/t12-/m1/s1
InChIKeyUAKMDQSVMDEEGX-GFCCVEGCSA-N
MW219.28 g/mol
LogP1.84
Rot. Bonds3

About (2R)-1-(1H-indol-6-yl)-3-methylbutane-2,3-diol

(2R)-1-(1H-indol-6-yl)-3-methylbutane-2,3-diol (PubChem CID 162898381) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (2R)-1-(1H-indol-6-yl)-3-methylbutane-2,3-diol.

Molecular Properties

Compound Name(2R)-1-(1H-indol-6-yl)-3-methylbutane-2,3-diol
PubChem CID162898381
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(2R)-1-(1H-indol-6-yl)-3-methylbutane-2,3-diol
SMILESCC(C)(O)[C@H](O)Cc1ccc2cc[nH]c2c1
InChIInChI=1S/C13H17NO2/c1-13(2,16)12(15)8-9-3-4-10-5-6-14-11(10)7-9/h3-7,12,14-16H,8H2,1-2H3/t12-/m1/s1
InChIKeyUAKMDQSVMDEEGX-GFCCVEGCSA-N
XLogP1.84
TPSA56.25 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;6-(2-methylpentyl)-1H-indole
CID 143267578
2-ethoxy-3-(1H-indol-6-yl)propanoic acid
CID 22485680
6-(bromomethyl)-1H-indole
CID 22062878
3,3-dimethylbutylidene(1H-indol-6-ylmethyl)phosphane
CID 154691312
3-(1H-indol-6-yl)pentan-3-ol
CID 58731193
1-(1H-indol-5-yl)-2-methylpropan-2-ol
CID 117119070
3-(1H-indol-6-ylmethylamino)-3-methylpentan-1-ol
CID 106172243
N-[2-(1H-indol-6-ylmethylamino)ethyl]-2-methylpropanamide
CID 102909292
N-(1H-indol-6-ylmethyl)-1-methoxy-2-methylpropan-2-amine
CID 102911940
N-(1H-indol-6-ylmethyl)butan-1-amine
CID 63749151
N-[2-(1H-indol-6-yl)ethyl]prop-1-en-2-amine
CID 144853621
3-(1H-indol-6-yl)propanoic acid
CID 23178857

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1H-indol-6-yl)-3-methylbutane-2,3-diol?
The IUPAC name of (2R)-1-(1H-indol-6-yl)-3-methylbutane-2,3-diol (CID 162898381) is (2R)-1-(1H-indol-6-yl)-3-methylbutane-2,3-diol.
What is the SMILES notation for (2R)-1-(1H-indol-6-yl)-3-methylbutane-2,3-diol?
The canonical SMILES for (2R)-1-(1H-indol-6-yl)-3-methylbutane-2,3-diol is CC(C)(O)[C@H](O)Cc1ccc2cc[nH]c2c1.
What is the InChIKey of (2R)-1-(1H-indol-6-yl)-3-methylbutane-2,3-diol?
The InChIKey is UAKMDQSVMDEEGX-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H17NO2/c1-13(2,16)12(15)8-9-3-4-10-5-6-14-11(10)7-9/h3-7,12,14-16H,8H2,1-2H3/t12-/m1/s1.
What are the key properties of (2R)-1-(1H-indol-6-yl)-3-methylbutane-2,3-diol?
(2R)-1-(1H-indol-6-yl)-3-methylbutane-2,3-diol has a molecular weight of 219.28 g/mol, XLogP of 1.84, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1H-indol-6-yl)-3-methylbutane-2,3-diol is sourced from PubChem (CID 162898381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).