3-(3-bromophenyl)-2-(2,3-dimethylphenyl)propanal;methoxymethane

C19H23BrO2 — CID 176559935

IUPAC3-(3-bromophenyl)-2-(2,3-dimethylphenyl)propanal;methoxymethane
SMILESCOC.Cc1cccc(C(C=O)Cc2cccc(Br)c2)c1C
InChIInChI=1S/C17H17BrO.C2H6O/c1-12-5-3-8-17(13(12)2)15(11-19)9-14-6-4-7-16(18)10-14;1-3-2/h3-8,10-11,15H,9H2,1-2H3;1-2H3
InChIKeyHVKDJBRWPHABOM-UHFFFAOYSA-N
MW363.30 g/mol
LogP4.85
Rot. Bonds4

About 3-(3-bromophenyl)-2-(2,3-dimethylphenyl)propanal;methoxymethane

3-(3-bromophenyl)-2-(2,3-dimethylphenyl)propanal;methoxymethane (PubChem CID 176559935) has the molecular formula C19H23BrO2 and a molecular weight of 363.30 g/mol. Its IUPAC name is 3-(3-bromophenyl)-2-(2,3-dimethylphenyl)propanal;methoxymethane.

Molecular Properties

Compound Name3-(3-bromophenyl)-2-(2,3-dimethylphenyl)propanal;methoxymethane
PubChem CID176559935
Molecular FormulaC19H23BrO2
Molecular Weight363.30 g/mol
Exact Mass362.09
IUPAC Name3-(3-bromophenyl)-2-(2,3-dimethylphenyl)propanal;methoxymethane
SMILESCOC.Cc1cccc(C(C=O)Cc2cccc(Br)c2)c1C
InChIInChI=1S/C17H17BrO.C2H6O/c1-12-5-3-8-17(13(12)2)15(11-19)9-14-6-4-7-16(18)10-14;1-3-2/h3-8,10-11,15H,9H2,1-2H3;1-2H3
InChIKeyHVKDJBRWPHABOM-UHFFFAOYSA-N
XLogP4.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.30
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-3-(2,2-dimethoxyethyl)benzene;ethane
CID 143308934
2-(3-bromophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 60819413
N-[(2R)-1-(3-bromophenyl)propan-2-yl]formamide
CID 125472845
(2S,3S)-2-bromo-3-(2,3-dimethylphenyl)butanal
CID 129389941
2-(5-bromo-3-pyridinyl)-1-(2,3-dimethylphenyl)ethanamine
CID 105036926
1-[(3-bromophenyl)methoxy]-1-(2-methylphenyl)butan-2-amine
CID 82804119
2-bromo-3-(3-bromophenyl)propanamide
CID 104512986
1-bromo-3-[2-[1-(3-bromophenyl)butan-2-yloxy]butyl]benzene
CID 67313726
2-(3-bromophenyl)butanal
CID 83839920
methyl 2-[(3-bromophenyl)methyl]-3-oxobutanoate
CID 19764144
1-[2-(3-bromophenyl)-1-chloroethyl]-2,4-dimethylbenzene
CID 63430097
1-(4-bromo-2-methoxyphenyl)-2-(3-bromophenyl)ethanol
CID 115370074

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-2-(2,3-dimethylphenyl)propanal;methoxymethane?
The IUPAC name of 3-(3-bromophenyl)-2-(2,3-dimethylphenyl)propanal;methoxymethane (CID 176559935) is 3-(3-bromophenyl)-2-(2,3-dimethylphenyl)propanal;methoxymethane.
What is the SMILES notation for 3-(3-bromophenyl)-2-(2,3-dimethylphenyl)propanal;methoxymethane?
The canonical SMILES for 3-(3-bromophenyl)-2-(2,3-dimethylphenyl)propanal;methoxymethane is COC.Cc1cccc(C(C=O)Cc2cccc(Br)c2)c1C.
What is the InChIKey of 3-(3-bromophenyl)-2-(2,3-dimethylphenyl)propanal;methoxymethane?
The InChIKey is HVKDJBRWPHABOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO.C2H6O/c1-12-5-3-8-17(13(12)2)15(11-19)9-14-6-4-7-16(18)10-14;1-3-2/h3-8,10-11,15H,9H2,1-2H3;1-2H3.
What are the key properties of 3-(3-bromophenyl)-2-(2,3-dimethylphenyl)propanal;methoxymethane?
3-(3-bromophenyl)-2-(2,3-dimethylphenyl)propanal;methoxymethane has a molecular weight of 363.30 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-2-(2,3-dimethylphenyl)propanal;methoxymethane is sourced from PubChem (CID 176559935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).