1-(bromomethyl)-3-chloro-5-(2-methoxyethoxy)benzene

C10H12BrClO2 — CID 129135170

IUPAC1-(bromomethyl)-3-chloro-5-(2-methoxyethoxy)benzene
SMILESCOCCOc1cc(Cl)cc(CBr)c1
InChIInChI=1S/C10H12BrClO2/c1-13-2-3-14-10-5-8(7-11)4-9(12)6-10/h4-6H,2-3,7H2,1H3
InChIKeyPBZQEXSRXUMTID-UHFFFAOYSA-N
MW279.56 g/mol
LogP3.26
Rot. Bonds5

About 1-(bromomethyl)-3-chloro-5-(2-methoxyethoxy)benzene

1-(bromomethyl)-3-chloro-5-(2-methoxyethoxy)benzene (PubChem CID 129135170) has the molecular formula C10H12BrClO2 and a molecular weight of 279.56 g/mol. Its IUPAC name is 1-(bromomethyl)-3-chloro-5-(2-methoxyethoxy)benzene.

Molecular Properties

Compound Name1-(bromomethyl)-3-chloro-5-(2-methoxyethoxy)benzene
PubChem CID129135170
Molecular FormulaC10H12BrClO2
Molecular Weight279.56 g/mol
Exact Mass277.97
IUPAC Name1-(bromomethyl)-3-chloro-5-(2-methoxyethoxy)benzene
SMILESCOCCOc1cc(Cl)cc(CBr)c1
InChIInChI=1S/C10H12BrClO2/c1-13-2-3-14-10-5-8(7-11)4-9(12)6-10/h4-6H,2-3,7H2,1H3
InChIKeyPBZQEXSRXUMTID-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

4-[3-chloro-5-(2-methoxyethoxy)phenyl]-3-methylbutan-2-one
CID 118514400
(2S)-2-[3-(bromomethyl)-5-chlorophenoxy]propanoic acid
CID 89285699
N-[1-[3-chloro-5-(2-methoxyethoxy)phenyl]-3-methylbutan-2-yl]formamide
CID 118252008
1-(2-bromoethoxy)-3,5-dichlorobenzene
CID 22246776
1-(bromomethyl)-3-methoxy-5-(2-methoxyethoxymethyl)benzene
CID 58005605
2-(bromomethyl)-4-chloro-1-(2-methoxyethoxy)benzene
CID 43142012
1-(bromomethyl)-3-(methoxymethoxy)-5-methylbenzene
CID 53359201
1,3-dichloro-5-[5-(3,5-dichlorophenoxy)pentoxy]benzene
CID 59168458
3,5-dichloro-N-[[4-(2-methoxyethoxy)phenyl]methyl]aniline
CID 54796924
ethane;1-ethyl-3-(2-methoxyethoxy)benzene
CID 143725382
1-(bromomethyl)-4-(4-methoxybutoxy)benzene
CID 102137908
1-chloro-4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]benzene
CID 71108634

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-3-chloro-5-(2-methoxyethoxy)benzene?
The IUPAC name of 1-(bromomethyl)-3-chloro-5-(2-methoxyethoxy)benzene (CID 129135170) is 1-(bromomethyl)-3-chloro-5-(2-methoxyethoxy)benzene.
What is the SMILES notation for 1-(bromomethyl)-3-chloro-5-(2-methoxyethoxy)benzene?
The canonical SMILES for 1-(bromomethyl)-3-chloro-5-(2-methoxyethoxy)benzene is COCCOc1cc(Cl)cc(CBr)c1.
What is the InChIKey of 1-(bromomethyl)-3-chloro-5-(2-methoxyethoxy)benzene?
The InChIKey is PBZQEXSRXUMTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClO2/c1-13-2-3-14-10-5-8(7-11)4-9(12)6-10/h4-6H,2-3,7H2,1H3.
What are the key properties of 1-(bromomethyl)-3-chloro-5-(2-methoxyethoxy)benzene?
1-(bromomethyl)-3-chloro-5-(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 1-(bromomethyl)-3-chloro-5-(2-methoxyethoxy)benzene is sourced from PubChem (CID 129135170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).