2-methyl-4-(4-methylindol-1-yl)butan-2-ol

C14H19NO — CID 116620378

IUPAC2-methyl-4-(4-methylindol-1-yl)butan-2-ol
SMILESCc1cccc2c1ccn2CCC(C)(C)O
InChIInChI=1S/C14H19NO/c1-11-5-4-6-13-12(11)7-9-15(13)10-8-14(2,3)16/h4-7,9,16H,8,10H2,1-3H3
InChIKeyYGZOJGORBUSOIB-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.11
Rot. Bonds3

About 2-methyl-4-(4-methylindol-1-yl)butan-2-ol

2-methyl-4-(4-methylindol-1-yl)butan-2-ol (PubChem CID 116620378) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-methyl-4-(4-methylindol-1-yl)butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-(4-methylindol-1-yl)butan-2-ol
PubChem CID116620378
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-methyl-4-(4-methylindol-1-yl)butan-2-ol
SMILESCc1cccc2c1ccn2CCC(C)(C)O
InChIInChI=1S/C14H19NO/c1-11-5-4-6-13-12(11)7-9-15(13)10-8-14(2,3)16/h4-7,9,16H,8,10H2,1-3H3
InChIKeyYGZOJGORBUSOIB-UHFFFAOYSA-N
XLogP3.11
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-methylindol-1-yl)butan-2-ol?
The IUPAC name of 2-methyl-4-(4-methylindol-1-yl)butan-2-ol (CID 116620378) is 2-methyl-4-(4-methylindol-1-yl)butan-2-ol.
What is the SMILES notation for 2-methyl-4-(4-methylindol-1-yl)butan-2-ol?
The canonical SMILES for 2-methyl-4-(4-methylindol-1-yl)butan-2-ol is Cc1cccc2c1ccn2CCC(C)(C)O.
What is the InChIKey of 2-methyl-4-(4-methylindol-1-yl)butan-2-ol?
The InChIKey is YGZOJGORBUSOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-11-5-4-6-13-12(11)7-9-15(13)10-8-14(2,3)16/h4-7,9,16H,8,10H2,1-3H3.
What are the key properties of 2-methyl-4-(4-methylindol-1-yl)butan-2-ol?
2-methyl-4-(4-methylindol-1-yl)butan-2-ol has a molecular weight of 217.31 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-methylindol-1-yl)butan-2-ol is sourced from PubChem (CID 116620378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).