4-bromo-6-phenoxy-1H-indole-2-carbaldehyde

C15H10BrNO2 — CID 135358651

IUPAC4-bromo-6-phenoxy-1H-indole-2-carbaldehyde
SMILESO=Cc1cc2c(Br)cc(Oc3ccccc3)cc2[nH]1
InChIInChI=1S/C15H10BrNO2/c16-14-7-12(19-11-4-2-1-3-5-11)8-15-13(14)6-10(9-18)17-15/h1-9,17H
InChIKeyZAEUOHJEJHQZCF-UHFFFAOYSA-N
MW316.15 g/mol
LogP4.54
Rot. Bonds3

About 4-bromo-6-phenoxy-1H-indole-2-carbaldehyde

4-bromo-6-phenoxy-1H-indole-2-carbaldehyde (PubChem CID 135358651) has the molecular formula C15H10BrNO2 and a molecular weight of 316.15 g/mol. Its IUPAC name is 4-bromo-6-phenoxy-1H-indole-2-carbaldehyde.

Molecular Properties

Compound Name4-bromo-6-phenoxy-1H-indole-2-carbaldehyde
PubChem CID135358651
Molecular FormulaC15H10BrNO2
Molecular Weight316.15 g/mol
Exact Mass314.99
IUPAC Name4-bromo-6-phenoxy-1H-indole-2-carbaldehyde
SMILESO=Cc1cc2c(Br)cc(Oc3ccccc3)cc2[nH]1
InChIInChI=1S/C15H10BrNO2/c16-14-7-12(19-11-4-2-1-3-5-11)8-15-13(14)6-10(9-18)17-15/h1-9,17H
InChIKeyZAEUOHJEJHQZCF-UHFFFAOYSA-N
XLogP4.54
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.15
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 4-bromo-6-phenoxy-1H-indole-2-carbaldehyde 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

Clauszoline K
CID 10537169
(4-Bromo-phenyl)-(5-methoxy-1H-indol-2-yl)-methanone
CID 9858692
(4-bromo-5-hydroxy-1H-indol-2-yl)-(4-phenoxyphenyl)methanone
CID 71454073
2-(1-benzofuran-2-yl)-6-bromo-1H-indole
CID 76332248
4-methoxy-1H-indole-2-carbaldehyde
CID 10678838
(E)-1-(6-bromo-1H-indol-2-yl)-3-(5-bromo-2-methoxyphenyl)prop-2-en-1-one
CID 134141962
methyl 3-(4-bromophenyl)-6-methoxy-1H-indole-2-carboxylate
CID 155552412
(6-hydroxy-1H-indol-2-yl)-(4-phenoxyphenyl)methanone
CID 53323663
6-ethoxy-1H-indole-2-carboxylic acid
CID 4595386
5-Bromo-3-formyl-6-methoxycarbazole
CID 76330129
7-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-one
CID 708536
Methyl 4-bromo-6-methoxy-1h-indole-2-carboxylate
CID 21867454

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-phenoxy-1H-indole-2-carbaldehyde?
The IUPAC name of 4-bromo-6-phenoxy-1H-indole-2-carbaldehyde (CID 135358651) is 4-bromo-6-phenoxy-1H-indole-2-carbaldehyde.
What is the SMILES notation for 4-bromo-6-phenoxy-1H-indole-2-carbaldehyde?
The canonical SMILES for 4-bromo-6-phenoxy-1H-indole-2-carbaldehyde is O=Cc1cc2c(Br)cc(Oc3ccccc3)cc2[nH]1.
What is the InChIKey of 4-bromo-6-phenoxy-1H-indole-2-carbaldehyde?
The InChIKey is ZAEUOHJEJHQZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrNO2/c16-14-7-12(19-11-4-2-1-3-5-11)8-15-13(14)6-10(9-18)17-15/h1-9,17H.
What are the key properties of 4-bromo-6-phenoxy-1H-indole-2-carbaldehyde?
4-bromo-6-phenoxy-1H-indole-2-carbaldehyde has a molecular weight of 316.15 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-phenoxy-1H-indole-2-carbaldehyde is sourced from PubChem (CID 135358651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).