[1-[(5-bromo-2-methoxyphenyl)methyl]indol-3-yl]methanol

C17H16BrNO2 — CID 66400336

IUPAC[1-[(5-bromo-2-methoxyphenyl)methyl]indol-3-yl]methanol
SMILESCOc1ccc(Br)cc1Cn1cc(CO)c2ccccc21
InChIInChI=1S/C17H16BrNO2/c1-21-17-7-6-14(18)8-12(17)9-19-10-13(11-20)15-4-2-3-5-16(15)19/h2-8,10,20H,9,11H2,1H3
InChIKeyNYWKHCPIIMXTOK-UHFFFAOYSA-N
MW346.22 g/mol
LogP3.95
Rot. Bonds4

About [1-[(5-bromo-2-methoxyphenyl)methyl]indol-3-yl]methanol

[1-[(5-bromo-2-methoxyphenyl)methyl]indol-3-yl]methanol (PubChem CID 66400336) has the molecular formula C17H16BrNO2 and a molecular weight of 346.22 g/mol. Its IUPAC name is [1-[(5-bromo-2-methoxyphenyl)methyl]indol-3-yl]methanol.

Molecular Properties

Compound Name[1-[(5-bromo-2-methoxyphenyl)methyl]indol-3-yl]methanol
PubChem CID66400336
Molecular FormulaC17H16BrNO2
Molecular Weight346.22 g/mol
Exact Mass345.04
IUPAC Name[1-[(5-bromo-2-methoxyphenyl)methyl]indol-3-yl]methanol
SMILESCOc1ccc(Br)cc1Cn1cc(CO)c2ccccc21
InChIInChI=1S/C17H16BrNO2/c1-21-17-7-6-14(18)8-12(17)9-19-10-13(11-20)15-4-2-3-5-16(15)19/h2-8,10,20H,9,11H2,1H3
InChIKeyNYWKHCPIIMXTOK-UHFFFAOYSA-N
XLogP3.95
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-[(5-bromo-2-methoxyphenyl)methyl]indol-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

Related Compounds

[1-[(5-chloro-2-methoxyphenyl)methyl]indol-3-yl]methanol
CID 66398877
2-[(5-bromo-2-methoxyphenyl)methyl]isoquinolin-1-one
CID 78915730
1-[(5-bromo-2-methoxyphenyl)methyl]-4-(naphthalen-1-ylmethyl)piperazine
CID 4085464
1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1360129
[1-[2-(4-bromophenoxy)ethyl]indol-3-yl]methanol
CID 66399919
3-benzyl-1-[(3,4-dimethoxyphenyl)methyl]indole
CID 53474780
3-[1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
CID 22123301
[1-[(2,5-dichlorophenyl)methyl]indol-3-yl]methanol
CID 66399928
2-[1-[(4-bromo-2-fluorophenyl)methyl]indol-3-yl]ethanamine
CID 10247079
1-[1-[(5-bromo-2-methoxyphenyl)methyl]pyrrol-2-yl]-N-methylmethanamine
CID 66402900
1-[1-[(5-bromo-2-methoxyphenyl)methyl]pyrrol-3-yl]ethanone
CID 79106520
1-[(5-bromo-2-methoxyphenyl)methyl]azetidine
CID 130159732

Frequently Asked Questions

What is the IUPAC name of [1-[(5-bromo-2-methoxyphenyl)methyl]indol-3-yl]methanol?
The IUPAC name of [1-[(5-bromo-2-methoxyphenyl)methyl]indol-3-yl]methanol (CID 66400336) is [1-[(5-bromo-2-methoxyphenyl)methyl]indol-3-yl]methanol.
What is the SMILES notation for [1-[(5-bromo-2-methoxyphenyl)methyl]indol-3-yl]methanol?
The canonical SMILES for [1-[(5-bromo-2-methoxyphenyl)methyl]indol-3-yl]methanol is COc1ccc(Br)cc1Cn1cc(CO)c2ccccc21.
What is the InChIKey of [1-[(5-bromo-2-methoxyphenyl)methyl]indol-3-yl]methanol?
The InChIKey is NYWKHCPIIMXTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO2/c1-21-17-7-6-14(18)8-12(17)9-19-10-13(11-20)15-4-2-3-5-16(15)19/h2-8,10,20H,9,11H2,1H3.
What are the key properties of [1-[(5-bromo-2-methoxyphenyl)methyl]indol-3-yl]methanol?
[1-[(5-bromo-2-methoxyphenyl)methyl]indol-3-yl]methanol has a molecular weight of 346.22 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-bromo-2-methoxyphenyl)methyl]indol-3-yl]methanol is sourced from PubChem (CID 66400336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).