2-(bromomethyl)-4-chloro-1-(2-methoxyethoxy)benzene

C10H12BrClO2 — CID 43142012

IUPAC2-(bromomethyl)-4-chloro-1-(2-methoxyethoxy)benzene
SMILESCOCCOc1ccc(Cl)cc1CBr
InChIInChI=1S/C10H12BrClO2/c1-13-4-5-14-10-3-2-9(12)6-8(10)7-11/h2-3,6H,4-5,7H2,1H3
InChIKeyXWSIRBQEVGQCSM-UHFFFAOYSA-N
MW279.56 g/mol
LogP3.26
Rot. Bonds5

About 2-(bromomethyl)-4-chloro-1-(2-methoxyethoxy)benzene

2-(bromomethyl)-4-chloro-1-(2-methoxyethoxy)benzene (PubChem CID 43142012) has the molecular formula C10H12BrClO2 and a molecular weight of 279.56 g/mol. Its IUPAC name is 2-(bromomethyl)-4-chloro-1-(2-methoxyethoxy)benzene.

Molecular Properties

Compound Name2-(bromomethyl)-4-chloro-1-(2-methoxyethoxy)benzene
PubChem CID43142012
Molecular FormulaC10H12BrClO2
Molecular Weight279.56 g/mol
Exact Mass277.97
IUPAC Name2-(bromomethyl)-4-chloro-1-(2-methoxyethoxy)benzene
SMILESCOCCOc1ccc(Cl)cc1CBr
InChIInChI=1S/C10H12BrClO2/c1-13-4-5-14-10-3-2-9(12)6-8(10)7-11/h2-3,6H,4-5,7H2,1H3
InChIKeyXWSIRBQEVGQCSM-UHFFFAOYSA-N
XLogP3.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.56
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(bromomethyl)-4-chloro-1-propoxybenzene
CID 43142008
2-(bromomethyl)-4-chloro-1-(3-methylbutoxy)benzene
CID 43141990
2-[2-(bromomethyl)-4-chlorophenoxy]ethyl carbamate
CID 175387864
4-bromo-2-(bromomethyl)-1-(2-methoxyethoxy)benzene
CID 43141619
2-(bromomethyl)-4-chloro-1-(2-methylpropoxy)benzene
CID 43142000
[5-chloro-2-(4-methoxybutoxy)phenyl]methanol
CID 104647989
2-(bromomethyl)-4-chloro-1-[(2,5-dichlorophenyl)methoxy]benzene
CID 65316926
2-(bromomethyl)-4-chloro-1-phenylmethoxybenzene;ethane
CID 143249325
2-[5-chloro-2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine
CID 103411486
N-[[5-chloro-2-(2-propan-2-yloxyethoxy)phenyl]methyl]-2-methoxyethanamine
CID 63056038
1-[[2-(bromomethyl)-4-chlorophenoxy]methyl]-4-chloro-2-fluorobenzene
CID 89437045
2-(bromomethyl)-1-[(2,5-dichlorophenyl)methoxy]-4-methoxybenzene
CID 65317020

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-chloro-1-(2-methoxyethoxy)benzene?
The IUPAC name of 2-(bromomethyl)-4-chloro-1-(2-methoxyethoxy)benzene (CID 43142012) is 2-(bromomethyl)-4-chloro-1-(2-methoxyethoxy)benzene.
What is the SMILES notation for 2-(bromomethyl)-4-chloro-1-(2-methoxyethoxy)benzene?
The canonical SMILES for 2-(bromomethyl)-4-chloro-1-(2-methoxyethoxy)benzene is COCCOc1ccc(Cl)cc1CBr.
What is the InChIKey of 2-(bromomethyl)-4-chloro-1-(2-methoxyethoxy)benzene?
The InChIKey is XWSIRBQEVGQCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClO2/c1-13-4-5-14-10-3-2-9(12)6-8(10)7-11/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 2-(bromomethyl)-4-chloro-1-(2-methoxyethoxy)benzene?
2-(bromomethyl)-4-chloro-1-(2-methoxyethoxy)benzene has a molecular weight of 279.56 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-chloro-1-(2-methoxyethoxy)benzene is sourced from PubChem (CID 43142012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).