2-(1,3-dimethylindol-4-yl)propan-2-ol

C13H17NO — CID 15852030

IUPAC2-(1,3-dimethylindol-4-yl)propan-2-ol
SMILESCc1cn(C)c2cccc(C(C)(C)O)c12
InChIInChI=1S/C13H17NO/c1-9-8-14(4)11-7-5-6-10(12(9)11)13(2,3)15/h5-8,15H,1-4H3
InChIKeyMNHCGFKHKZATDL-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.71
Rot. Bonds1

About 2-(1,3-dimethylindol-4-yl)propan-2-ol

2-(1,3-dimethylindol-4-yl)propan-2-ol (PubChem CID 15852030) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-(1,3-dimethylindol-4-yl)propan-2-ol.

Molecular Properties

Compound Name2-(1,3-dimethylindol-4-yl)propan-2-ol
PubChem CID15852030
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name2-(1,3-dimethylindol-4-yl)propan-2-ol
SMILESCc1cn(C)c2cccc(C(C)(C)O)c12
InChIInChI=1S/C13H17NO/c1-9-8-14(4)11-7-5-6-10(12(9)11)13(2,3)15/h5-8,15H,1-4H3
InChIKeyMNHCGFKHKZATDL-UHFFFAOYSA-N
XLogP2.71
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,3-dimethylindol-4-yl)-2-methylpropan-2-ol
CID 117204407
2-(1,3-dimethylindol-7-yl)propan-2-ol
CID 117205272
1,4-dimethylindol-3-amine
CID 89174209
1-(1,3-dimethylindol-4-yl)-N-methylmethanamine
CID 117204432
1,3-dimethyl-4-piperidin-1-ylindole
CID 126583344
2-(1,3-dimethylindol-4-yl)-N-methylethanamine
CID 117204456
2-(4-hydroxy-1-methylindol-3-yl)-2-methylpropanoic acid
CID 117119823
1-(1,4-dimethylindol-3-yl)ethanone
CID 82655711
2-[1-methyl-7-(trifluoromethyl)indol-3-yl]propan-2-ol
CID 117197297
4-tert-butyl-1,3-dimethylpyrrolo[3,2-c]pyridine
CID 91219578
2-[2-(chloromethyl)-3-methylphenyl]propan-2-ol
CID 57235930
2-(2,3-difluorophenyl)propan-2-ol
CID 10487389

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethylindol-4-yl)propan-2-ol?
The IUPAC name of 2-(1,3-dimethylindol-4-yl)propan-2-ol (CID 15852030) is 2-(1,3-dimethylindol-4-yl)propan-2-ol.
What is the SMILES notation for 2-(1,3-dimethylindol-4-yl)propan-2-ol?
The canonical SMILES for 2-(1,3-dimethylindol-4-yl)propan-2-ol is Cc1cn(C)c2cccc(C(C)(C)O)c12.
What is the InChIKey of 2-(1,3-dimethylindol-4-yl)propan-2-ol?
The InChIKey is MNHCGFKHKZATDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-9-8-14(4)11-7-5-6-10(12(9)11)13(2,3)15/h5-8,15H,1-4H3.
What are the key properties of 2-(1,3-dimethylindol-4-yl)propan-2-ol?
2-(1,3-dimethylindol-4-yl)propan-2-ol has a molecular weight of 203.28 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethylindol-4-yl)propan-2-ol is sourced from PubChem (CID 15852030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).