1-(1H-indol-5-yl)-2-methylpropan-2-ol

C12H15NO — CID 117119070

IUPAC1-(1H-indol-5-yl)-2-methylpropan-2-ol
SMILESCC(C)(O)Cc1ccc2[nH]ccc2c1
InChIInChI=1S/C12H15NO/c1-12(2,14)8-9-3-4-11-10(7-9)5-6-13-11/h3-7,13-14H,8H2,1-2H3
InChIKeyBVOMZCMHLDHRBD-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.48
Rot. Bonds2

About 1-(1H-indol-5-yl)-2-methylpropan-2-ol

1-(1H-indol-5-yl)-2-methylpropan-2-ol (PubChem CID 117119070) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-(1H-indol-5-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(1H-indol-5-yl)-2-methylpropan-2-ol
PubChem CID117119070
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name1-(1H-indol-5-yl)-2-methylpropan-2-ol
SMILESCC(C)(O)Cc1ccc2[nH]ccc2c1
InChIInChI=1S/C12H15NO/c1-12(2,14)8-9-3-4-11-10(7-9)5-6-13-11/h3-7,13-14H,8H2,1-2H3
InChIKeyBVOMZCMHLDHRBD-UHFFFAOYSA-N
XLogP2.48
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-1-(2-methyl-1H-indol-5-yl)propan-2-ol
CID 117204563
2-(1H-indol-5-yl)-1-(4-methoxyphenyl)propan-2-ol
CID 81436881
2-methyl-1-(2-methyl-1H-indol-6-yl)propan-2-ol
CID 117204834
1-(dimethylamino)-3-(1H-indol-5-ylmethylamino)-2-methylpropan-2-ol
CID 106145243
N-(1H-indol-5-ylmethyl)-3,5-dimethylaniline;hydrochloride
CID 17221817
5-(4-methylpentyl)-1H-indole
CID 143660626
5-(ethylsulfonylmethyl)-1H-indole
CID 67811404
2-(1H-indol-5-yl)-N-methylethanamine
CID 82374641
2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-2-ol
CID 116928691
1-(4-chlorophenyl)-1-(1H-indol-5-yl)ethanol
CID 81444906
methyl 2-(1H-indol-5-yl)acetate
CID 43831379
N-tert-butyl-2-(1H-indol-5-ylmethylamino)acetamide
CID 102911664

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-5-yl)-2-methylpropan-2-ol?
The IUPAC name of 1-(1H-indol-5-yl)-2-methylpropan-2-ol (CID 117119070) is 1-(1H-indol-5-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(1H-indol-5-yl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(1H-indol-5-yl)-2-methylpropan-2-ol is CC(C)(O)Cc1ccc2[nH]ccc2c1.
What is the InChIKey of 1-(1H-indol-5-yl)-2-methylpropan-2-ol?
The InChIKey is BVOMZCMHLDHRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-12(2,14)8-9-3-4-11-10(7-9)5-6-13-11/h3-7,13-14H,8H2,1-2H3.
What are the key properties of 1-(1H-indol-5-yl)-2-methylpropan-2-ol?
1-(1H-indol-5-yl)-2-methylpropan-2-ol has a molecular weight of 189.26 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-5-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 117119070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).