2-methyl-1-(3-methyl-1H-indol-2-yl)propan-2-ol

C13H17NO — CID 141350566

IUPAC2-methyl-1-(3-methyl-1H-indol-2-yl)propan-2-ol
SMILESCc1c(CC(C)(C)O)[nH]c2ccccc12
InChIInChI=1S/C13H17NO/c1-9-10-6-4-5-7-11(10)14-12(9)8-13(2,3)15/h4-7,14-15H,8H2,1-3H3
InChIKeyCIGBPDOYTSDUJR-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.79
Rot. Bonds2

About 2-methyl-1-(3-methyl-1H-indol-2-yl)propan-2-ol

2-methyl-1-(3-methyl-1H-indol-2-yl)propan-2-ol (PubChem CID 141350566) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-methyl-1-(3-methyl-1H-indol-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(3-methyl-1H-indol-2-yl)propan-2-ol
PubChem CID141350566
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name2-methyl-1-(3-methyl-1H-indol-2-yl)propan-2-ol
SMILESCc1c(CC(C)(C)O)[nH]c2ccccc12
InChIInChI=1S/C13H17NO/c1-9-10-6-4-5-7-11(10)14-12(9)8-13(2,3)15/h4-7,14-15H,8H2,1-3H3
InChIKeyCIGBPDOYTSDUJR-UHFFFAOYSA-N
XLogP2.79
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-1-(3-methyl-1H-indol-2-yl)methanamine
CID 119082195
2-methyl-4-(2-methyl-1H-indol-3-yl)butan-2-ol
CID 82471951
2,3-dimethyl-1H-indole;ethane;1H-pyrrole
CID 159131567
1-(3-amino-9H-carbazol-1-yl)-2-methylpropan-2-ol;hydrochloride
CID 121268602
2-[(3-methyl-1H-indol-2-yl)methyl]isoindole-1,3-dione
CID 11623432
butane;2,3-dimethyl-1H-indole
CID 143059445
(3-amino-1H-indol-2-yl)methanol
CID 133058888
diethyl 2-methyl-2-(3-methyl-1H-indol-2-yl)propanedioate
CID 177452583
2,3-dimethyl-1H-indole;molecular hydrogen
CID 142083168
3-methyl-1H-indole-2-carbonitrile
CID 593371
2-[[3-(3-hydroxy-3-methylbutoxy)phenoxy]methyl]-3-methyl-1H-quinolin-4-one
CID 25254019
1-bromo-3-[(3-methyl-1H-indol-2-yl)methyl]indole
CID 164522915

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methyl-1H-indol-2-yl)propan-2-ol?
The IUPAC name of 2-methyl-1-(3-methyl-1H-indol-2-yl)propan-2-ol (CID 141350566) is 2-methyl-1-(3-methyl-1H-indol-2-yl)propan-2-ol.
What is the SMILES notation for 2-methyl-1-(3-methyl-1H-indol-2-yl)propan-2-ol?
The canonical SMILES for 2-methyl-1-(3-methyl-1H-indol-2-yl)propan-2-ol is Cc1c(CC(C)(C)O)[nH]c2ccccc12.
What is the InChIKey of 2-methyl-1-(3-methyl-1H-indol-2-yl)propan-2-ol?
The InChIKey is CIGBPDOYTSDUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-9-10-6-4-5-7-11(10)14-12(9)8-13(2,3)15/h4-7,14-15H,8H2,1-3H3.
What are the key properties of 2-methyl-1-(3-methyl-1H-indol-2-yl)propan-2-ol?
2-methyl-1-(3-methyl-1H-indol-2-yl)propan-2-ol has a molecular weight of 203.28 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methyl-1H-indol-2-yl)propan-2-ol is sourced from PubChem (CID 141350566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).