3-(2-bromophenyl)isochromen-1-one

C15H9BrO2 — CID 10494493

IUPAC3-(2-bromophenyl)isochromen-1-one
SMILESO=c1oc(-c2ccccc2Br)cc2ccccc12
InChIInChI=1S/C15H9BrO2/c16-13-8-4-3-7-12(13)14-9-10-5-1-2-6-11(10)15(17)18-14/h1-9H
InChIKeyMKDJXIBKSQSNLW-UHFFFAOYSA-N
MW301.14 g/mol
LogP4.22
Rot. Bonds1

About 3-(2-bromophenyl)isochromen-1-one

3-(2-bromophenyl)isochromen-1-one (PubChem CID 10494493) has the molecular formula C15H9BrO2 and a molecular weight of 301.14 g/mol. Its IUPAC name is 3-(2-bromophenyl)isochromen-1-one.

Molecular Properties

Compound Name3-(2-bromophenyl)isochromen-1-one
PubChem CID10494493
Molecular FormulaC15H9BrO2
Molecular Weight301.14 g/mol
Exact Mass299.98
IUPAC Name3-(2-bromophenyl)isochromen-1-one
SMILESO=c1oc(-c2ccccc2Br)cc2ccccc12
InChIInChI=1S/C15H9BrO2/c16-13-8-4-3-7-12(13)14-9-10-5-1-2-6-11(10)15(17)18-14/h1-9H
InChIKeyMKDJXIBKSQSNLW-UHFFFAOYSA-N
XLogP4.22
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(2-bromophenyl)isochromen-1-one 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

CID 334102
CID 334102
CID 11894
CID 11894
CID 66493
CID 66493
CID 244746
CID 244746
CID 20662782
CID 20662782
CID 603177
CID 603177
CID 80186
CID 80186
CID 345792
CID 345792
CID 44587012
CID 44587012
CID 5945155
CID 5945155
CID 334079
CID 334079
CID 316201
CID 316201

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)isochromen-1-one?
The IUPAC name of 3-(2-bromophenyl)isochromen-1-one (CID 10494493) is 3-(2-bromophenyl)isochromen-1-one.
What is the SMILES notation for 3-(2-bromophenyl)isochromen-1-one?
The canonical SMILES for 3-(2-bromophenyl)isochromen-1-one is O=c1oc(-c2ccccc2Br)cc2ccccc12.
What is the InChIKey of 3-(2-bromophenyl)isochromen-1-one?
The InChIKey is MKDJXIBKSQSNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrO2/c16-13-8-4-3-7-12(13)14-9-10-5-1-2-6-11(10)15(17)18-14/h1-9H.
What are the key properties of 3-(2-bromophenyl)isochromen-1-one?
3-(2-bromophenyl)isochromen-1-one has a molecular weight of 301.14 g/mol, XLogP of 4.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)isochromen-1-one is sourced from PubChem (CID 10494493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).