1-(4-bromophenyl)-2-(4-phenylmethoxyindol-1-yl)ethanone

C23H18BrNO2 — CID 84571777

IUPAC1-(4-bromophenyl)-2-(4-phenylmethoxyindol-1-yl)ethanone
SMILESO=C(Cn1ccc2c(OCc3ccccc3)cccc21)c1ccc(Br)cc1
InChIInChI=1S/C23H18BrNO2/c24-19-11-9-18(10-12-19)22(26)15-25-14-13-20-21(25)7-4-8-23(20)27-16-17-5-2-1-3-6-17/h1-14H,15-16H2
InChIKeyFJNOHDMNOOQQKR-UHFFFAOYSA-N
MW420.31 g/mol
LogP5.87
Rot. Bonds6

About 1-(4-bromophenyl)-2-(4-phenylmethoxyindol-1-yl)ethanone

1-(4-bromophenyl)-2-(4-phenylmethoxyindol-1-yl)ethanone (PubChem CID 84571777) has the molecular formula C23H18BrNO2 and a molecular weight of 420.31 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(4-phenylmethoxyindol-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(4-phenylmethoxyindol-1-yl)ethanone
PubChem CID84571777
Molecular FormulaC23H18BrNO2
Molecular Weight420.31 g/mol
Exact Mass419.05
IUPAC Name1-(4-bromophenyl)-2-(4-phenylmethoxyindol-1-yl)ethanone
SMILESO=C(Cn1ccc2c(OCc3ccccc3)cccc21)c1ccc(Br)cc1
InChIInChI=1S/C23H18BrNO2/c24-19-11-9-18(10-12-19)22(26)15-25-14-13-20-21(25)7-4-8-23(20)27-16-17-5-2-1-3-6-17/h1-14H,15-16H2
InChIKeyFJNOHDMNOOQQKR-UHFFFAOYSA-N
XLogP5.87
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.31
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromophenyl)-2-(4-phenylmethoxyindol-1-yl)ethanone 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-(4-methylphenyl)-2-(4-phenylmethoxyindol-1-yl)ethanone
CID 84571772
1-(bromomethyl)-4-phenylmethoxyindole
CID 59096925
2,4-dimethyl-6-[2-(4-phenylmethoxyindol-1-yl)acetyl]-1,4-benzoxazin-3-one
CID 84571768
1-ethyl-4-phenylmethoxyindole
CID 24776902
3-methylbutyl 2-(4-phenylmethoxyindol-1-yl)acetate
CID 84573126
1-(3-bromophenyl)-2-(4-methoxyindol-1-yl)ethanone
CID 83164594
1-(cyclopropylmethyl)-4-phenylmethoxyindole
CID 69006016
N-(2-methoxy-5-methylphenyl)-2-(4-phenylmethoxyindol-1-yl)acetamide
CID 84573070
4-phenylmethoxyindole-1-sulfinate
CID 23517350
1-(2-naphthalen-1-yloxyethyl)-4-phenylmethoxyindole
CID 84571556
CID 59096793
CID 59096793
N,N-dimethyl-3-(4-phenylmethoxyindol-1-yl)propan-1-amine
CID 84571792

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(4-phenylmethoxyindol-1-yl)ethanone?
The IUPAC name of 1-(4-bromophenyl)-2-(4-phenylmethoxyindol-1-yl)ethanone (CID 84571777) is 1-(4-bromophenyl)-2-(4-phenylmethoxyindol-1-yl)ethanone.
What is the SMILES notation for 1-(4-bromophenyl)-2-(4-phenylmethoxyindol-1-yl)ethanone?
The canonical SMILES for 1-(4-bromophenyl)-2-(4-phenylmethoxyindol-1-yl)ethanone is O=C(Cn1ccc2c(OCc3ccccc3)cccc21)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-(4-phenylmethoxyindol-1-yl)ethanone?
The InChIKey is FJNOHDMNOOQQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrNO2/c24-19-11-9-18(10-12-19)22(26)15-25-14-13-20-21(25)7-4-8-23(20)27-16-17-5-2-1-3-6-17/h1-14H,15-16H2.
What are the key properties of 1-(4-bromophenyl)-2-(4-phenylmethoxyindol-1-yl)ethanone?
1-(4-bromophenyl)-2-(4-phenylmethoxyindol-1-yl)ethanone has a molecular weight of 420.31 g/mol, XLogP of 5.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-(4-phenylmethoxyindol-1-yl)ethanone is sourced from PubChem (CID 84571777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).