3-methyl-2-(3-methyl-1H-indol-5-yl)butan-1-ol

C14H19NO — CID 116996548

IUPAC3-methyl-2-(3-methyl-1H-indol-5-yl)butan-1-ol
SMILESCc1c[nH]c2ccc(C(CO)C(C)C)cc12
InChIInChI=1S/C14H19NO/c1-9(2)13(8-16)11-4-5-14-12(6-11)10(3)7-15-14/h4-7,9,13,15-16H,8H2,1-3H3
InChIKeyRPVLCRNHRPVJGD-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.21
Rot. Bonds3

About 3-methyl-2-(3-methyl-1H-indol-5-yl)butan-1-ol

3-methyl-2-(3-methyl-1H-indol-5-yl)butan-1-ol (PubChem CID 116996548) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 3-methyl-2-(3-methyl-1H-indol-5-yl)butan-1-ol.

Molecular Properties

Compound Name3-methyl-2-(3-methyl-1H-indol-5-yl)butan-1-ol
PubChem CID116996548
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name3-methyl-2-(3-methyl-1H-indol-5-yl)butan-1-ol
SMILESCc1c[nH]c2ccc(C(CO)C(C)C)cc12
InChIInChI=1S/C14H19NO/c1-9(2)13(8-16)11-4-5-14-12(6-11)10(3)7-15-14/h4-7,9,13,15-16H,8H2,1-3H3
InChIKeyRPVLCRNHRPVJGD-UHFFFAOYSA-N
XLogP3.21
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(3-methyl-1H-indol-5-yl)butan-1-ol?
The IUPAC name of 3-methyl-2-(3-methyl-1H-indol-5-yl)butan-1-ol (CID 116996548) is 3-methyl-2-(3-methyl-1H-indol-5-yl)butan-1-ol.
What is the SMILES notation for 3-methyl-2-(3-methyl-1H-indol-5-yl)butan-1-ol?
The canonical SMILES for 3-methyl-2-(3-methyl-1H-indol-5-yl)butan-1-ol is Cc1c[nH]c2ccc(C(CO)C(C)C)cc12.
What is the InChIKey of 3-methyl-2-(3-methyl-1H-indol-5-yl)butan-1-ol?
The InChIKey is RPVLCRNHRPVJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-9(2)13(8-16)11-4-5-14-12(6-11)10(3)7-15-14/h4-7,9,13,15-16H,8H2,1-3H3.
What are the key properties of 3-methyl-2-(3-methyl-1H-indol-5-yl)butan-1-ol?
3-methyl-2-(3-methyl-1H-indol-5-yl)butan-1-ol has a molecular weight of 217.31 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(3-methyl-1H-indol-5-yl)butan-1-ol is sourced from PubChem (CID 116996548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).