2-bromo-1-chloro-4-(dimethoxymethyl)benzene

C9H10BrClO2 — CID 15300643

IUPAC2-bromo-1-chloro-4-(dimethoxymethyl)benzene
SMILESCOC(OC)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C9H10BrClO2/c1-12-9(13-2)6-3-4-8(11)7(10)5-6/h3-5,9H,1-2H3
InChIKeyHHNPYGXFNIRFFR-UHFFFAOYSA-N
MW265.53 g/mol
LogP3.39
Rot. Bonds3

About 2-bromo-1-chloro-4-(dimethoxymethyl)benzene

2-bromo-1-chloro-4-(dimethoxymethyl)benzene (PubChem CID 15300643) has the molecular formula C9H10BrClO2 and a molecular weight of 265.53 g/mol. Its IUPAC name is 2-bromo-1-chloro-4-(dimethoxymethyl)benzene.

Molecular Properties

Compound Name2-bromo-1-chloro-4-(dimethoxymethyl)benzene
PubChem CID15300643
Molecular FormulaC9H10BrClO2
Molecular Weight265.53 g/mol
Exact Mass263.96
IUPAC Name2-bromo-1-chloro-4-(dimethoxymethyl)benzene
SMILESCOC(OC)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C9H10BrClO2/c1-12-9(13-2)6-3-4-8(11)7(10)5-6/h3-5,9H,1-2H3
InChIKeyHHNPYGXFNIRFFR-UHFFFAOYSA-N
XLogP3.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.53
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(3-bromo-4-chlorophenyl)ethanol
CID 112756230
(1R)-1-(3-bromo-4-chlorophenyl)-2-methoxyethanamine
CID 131168794
methyl 2-(3-bromo-4-chlorophenyl)propanoate
CID 105426693
1-(3-bromo-4-chlorophenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 115567230
(3-bromo-4-chlorophenyl)-(3-chloro-4-methoxyphenyl)methanamine
CID 107998536
(1R)-1-(3-bromo-4-chlorophenyl)-N-methylethanamine
CID 130682400
[(3-bromo-4-chlorophenyl)-(4-methoxyphenyl)methyl]hydrazine
CID 105260984
1-bromo-2-[(3-bromo-4-chlorophenyl)-chloromethyl]-4,5-dimethoxybenzene
CID 107991491
1-[bromo-(3-bromo-4-chlorophenyl)methyl]-2-chloro-4,5-dimethoxybenzene
CID 107991738
amino-(3-bromo-4-chlorophenyl)methanol
CID 141216325
2-bromo-4-[bromo-(4-methylphenyl)methyl]-1-chlorobenzene
CID 107991616
(3-bromo-4-chlorophenyl)-(2,6-dimethoxyphenyl)methanol
CID 116809848

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-chloro-4-(dimethoxymethyl)benzene?
The IUPAC name of 2-bromo-1-chloro-4-(dimethoxymethyl)benzene (CID 15300643) is 2-bromo-1-chloro-4-(dimethoxymethyl)benzene.
What is the SMILES notation for 2-bromo-1-chloro-4-(dimethoxymethyl)benzene?
The canonical SMILES for 2-bromo-1-chloro-4-(dimethoxymethyl)benzene is COC(OC)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 2-bromo-1-chloro-4-(dimethoxymethyl)benzene?
The InChIKey is HHNPYGXFNIRFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClO2/c1-12-9(13-2)6-3-4-8(11)7(10)5-6/h3-5,9H,1-2H3.
What are the key properties of 2-bromo-1-chloro-4-(dimethoxymethyl)benzene?
2-bromo-1-chloro-4-(dimethoxymethyl)benzene has a molecular weight of 265.53 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-chloro-4-(dimethoxymethyl)benzene is sourced from PubChem (CID 15300643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).