(3-bromo-5-methylphenyl)-(2-propoxyphenyl)methanone

C17H17BrO2 — CID 115800762

IUPAC(3-bromo-5-methylphenyl)-(2-propoxyphenyl)methanone
SMILESCCCOc1ccccc1C(=O)c1cc(C)cc(Br)c1
InChIInChI=1S/C17H17BrO2/c1-3-8-20-16-7-5-4-6-15(16)17(19)13-9-12(2)10-14(18)11-13/h4-7,9-11H,3,8H2,1-2H3
InChIKeyIIOLXINLUVGVPM-UHFFFAOYSA-N
MW333.23 g/mol
LogP4.78
Rot. Bonds5

About (3-bromo-5-methylphenyl)-(2-propoxyphenyl)methanone

(3-bromo-5-methylphenyl)-(2-propoxyphenyl)methanone (PubChem CID 115800762) has the molecular formula C17H17BrO2 and a molecular weight of 333.23 g/mol. Its IUPAC name is (3-bromo-5-methylphenyl)-(2-propoxyphenyl)methanone.

Molecular Properties

Compound Name(3-bromo-5-methylphenyl)-(2-propoxyphenyl)methanone
PubChem CID115800762
Molecular FormulaC17H17BrO2
Molecular Weight333.23 g/mol
Exact Mass332.04
IUPAC Name(3-bromo-5-methylphenyl)-(2-propoxyphenyl)methanone
SMILESCCCOc1ccccc1C(=O)c1cc(C)cc(Br)c1
InChIInChI=1S/C17H17BrO2/c1-3-8-20-16-7-5-4-6-15(16)17(19)13-9-12(2)10-14(18)11-13/h4-7,9-11H,3,8H2,1-2H3
InChIKeyIIOLXINLUVGVPM-UHFFFAOYSA-N
XLogP4.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3-bromo-5-methylphenyl)-(2-propoxyphenyl)methanone 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

(3,5-dibromophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 107977350
phenyl-(2-propoxyphenyl)methanone
CID 15556308
(3-methoxy-4-methylphenyl)-(2-propoxyphenyl)methanone
CID 115800817
(3-chloro-4-methylphenyl)-(2-propoxyphenyl)methanone
CID 115800840
(4-chlorophenyl)-(2-propoxyphenyl)methanone
CID 104659114
(2-propoxyphenyl)-pyridin-4-ylmethanone
CID 113438187
(2-methoxy-4-methylphenyl)-(2-propoxyphenyl)methanone
CID 106790144
(3-bromo-5-methylphenyl)-(2-fluorophenyl)methanone
CID 114965994
(4-ethoxyphenyl)-(2-propoxyphenyl)methanone
CID 115800643
(3,6-dimethylpyridazin-4-yl)-(2-propoxyphenyl)methanone
CID 105128622
(4-fluoro-2-methylphenyl)-(2-propoxyphenyl)methanone
CID 104659409
(2,6-dimethyl-4-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 107502643

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-methylphenyl)-(2-propoxyphenyl)methanone?
The IUPAC name of (3-bromo-5-methylphenyl)-(2-propoxyphenyl)methanone (CID 115800762) is (3-bromo-5-methylphenyl)-(2-propoxyphenyl)methanone.
What is the SMILES notation for (3-bromo-5-methylphenyl)-(2-propoxyphenyl)methanone?
The canonical SMILES for (3-bromo-5-methylphenyl)-(2-propoxyphenyl)methanone is CCCOc1ccccc1C(=O)c1cc(C)cc(Br)c1.
What is the InChIKey of (3-bromo-5-methylphenyl)-(2-propoxyphenyl)methanone?
The InChIKey is IIOLXINLUVGVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO2/c1-3-8-20-16-7-5-4-6-15(16)17(19)13-9-12(2)10-14(18)11-13/h4-7,9-11H,3,8H2,1-2H3.
What are the key properties of (3-bromo-5-methylphenyl)-(2-propoxyphenyl)methanone?
(3-bromo-5-methylphenyl)-(2-propoxyphenyl)methanone has a molecular weight of 333.23 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-methylphenyl)-(2-propoxyphenyl)methanone is sourced from PubChem (CID 115800762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).