[1-[(4-bromophenyl)methyl]-2-methylindol-3-yl]methanol

C17H16BrNO — CID 955521

IUPAC[1-[(4-bromophenyl)methyl]-2-methylindol-3-yl]methanol
SMILESCc1c(CO)c2ccccc2n1Cc1ccc(Br)cc1
InChIInChI=1S/C17H16BrNO/c1-12-16(11-20)15-4-2-3-5-17(15)19(12)10-13-6-8-14(18)9-7-13/h2-9,20H,10-11H2,1H3
InChIKeyTYOOQLRVVFFUAT-UHFFFAOYSA-N
MW330.23 g/mol
LogP4.25
Rot. Bonds3

About [1-[(4-bromophenyl)methyl]-2-methylindol-3-yl]methanol

[1-[(4-bromophenyl)methyl]-2-methylindol-3-yl]methanol (PubChem CID 955521) has the molecular formula C17H16BrNO and a molecular weight of 330.23 g/mol. Its IUPAC name is [1-[(4-bromophenyl)methyl]-2-methylindol-3-yl]methanol.

Molecular Properties

Compound Name[1-[(4-bromophenyl)methyl]-2-methylindol-3-yl]methanol
PubChem CID955521
Molecular FormulaC17H16BrNO
Molecular Weight330.23 g/mol
Exact Mass329.04
IUPAC Name[1-[(4-bromophenyl)methyl]-2-methylindol-3-yl]methanol
SMILESCc1c(CO)c2ccccc2n1Cc1ccc(Br)cc1
InChIInChI=1S/C17H16BrNO/c1-12-16(11-20)15-4-2-3-5-17(15)19(12)10-13-6-8-14(18)9-7-13/h2-9,20H,10-11H2,1H3
InChIKeyTYOOQLRVVFFUAT-UHFFFAOYSA-N
XLogP4.25
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [1-[(4-bromophenyl)methyl]-2-methylindol-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[(4-bromophenyl)methyl]-2-methylindol-3-yl]methanol?
The IUPAC name of [1-[(4-bromophenyl)methyl]-2-methylindol-3-yl]methanol (CID 955521) is [1-[(4-bromophenyl)methyl]-2-methylindol-3-yl]methanol.
What is the SMILES notation for [1-[(4-bromophenyl)methyl]-2-methylindol-3-yl]methanol?
The canonical SMILES for [1-[(4-bromophenyl)methyl]-2-methylindol-3-yl]methanol is Cc1c(CO)c2ccccc2n1Cc1ccc(Br)cc1.
What is the InChIKey of [1-[(4-bromophenyl)methyl]-2-methylindol-3-yl]methanol?
The InChIKey is TYOOQLRVVFFUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO/c1-12-16(11-20)15-4-2-3-5-17(15)19(12)10-13-6-8-14(18)9-7-13/h2-9,20H,10-11H2,1H3.
What are the key properties of [1-[(4-bromophenyl)methyl]-2-methylindol-3-yl]methanol?
[1-[(4-bromophenyl)methyl]-2-methylindol-3-yl]methanol has a molecular weight of 330.23 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-bromophenyl)methyl]-2-methylindol-3-yl]methanol is sourced from PubChem (CID 955521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).