(1-benzyl-2-methylindol-3-yl)methanol

C17H17NO — CID 957081

IUPAC(1-benzyl-2-methylindol-3-yl)methanol
SMILESCc1c(CO)c2ccccc2n1Cc1ccccc1
InChIInChI=1S/C17H17NO/c1-13-16(12-19)15-9-5-6-10-17(15)18(13)11-14-7-3-2-4-8-14/h2-10,19H,11-12H2,1H3
InChIKeyVKONPKQBDSWLIK-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.49
Rot. Bonds3

About (1-benzyl-2-methylindol-3-yl)methanol

(1-benzyl-2-methylindol-3-yl)methanol (PubChem CID 957081) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is (1-benzyl-2-methylindol-3-yl)methanol.

Molecular Properties

Compound Name(1-benzyl-2-methylindol-3-yl)methanol
PubChem CID957081
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name(1-benzyl-2-methylindol-3-yl)methanol
SMILESCc1c(CO)c2ccccc2n1Cc1ccccc1
InChIInChI=1S/C17H17NO/c1-13-16(12-19)15-9-5-6-10-17(15)18(13)11-14-7-3-2-4-8-14/h2-10,19H,11-12H2,1H3
InChIKeyVKONPKQBDSWLIK-UHFFFAOYSA-N
XLogP3.49
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-benzyl-2-methylindol-3-yl)methanol?
The IUPAC name of (1-benzyl-2-methylindol-3-yl)methanol (CID 957081) is (1-benzyl-2-methylindol-3-yl)methanol.
What is the SMILES notation for (1-benzyl-2-methylindol-3-yl)methanol?
The canonical SMILES for (1-benzyl-2-methylindol-3-yl)methanol is Cc1c(CO)c2ccccc2n1Cc1ccccc1.
What is the InChIKey of (1-benzyl-2-methylindol-3-yl)methanol?
The InChIKey is VKONPKQBDSWLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-13-16(12-19)15-9-5-6-10-17(15)18(13)11-14-7-3-2-4-8-14/h2-10,19H,11-12H2,1H3.
What are the key properties of (1-benzyl-2-methylindol-3-yl)methanol?
(1-benzyl-2-methylindol-3-yl)methanol has a molecular weight of 251.33 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-2-methylindol-3-yl)methanol is sourced from PubChem (CID 957081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).