1-(2-bromoethyl)-3,5-dimethoxybenzene

C10H13BrO2 — CID 12560827

IUPAC1-(2-bromoethyl)-3,5-dimethoxybenzene
SMILESCOc1cc(CCBr)cc(OC)c1
InChIInChI=1S/C10H13BrO2/c1-12-9-5-8(3-4-11)6-10(7-9)13-2/h5-7H,3-4H2,1-2H3
InChIKeyUAEVVYMBABKZOM-UHFFFAOYSA-N
MW245.12 g/mol
LogP2.64
Rot. Bonds4

About 1-(2-bromoethyl)-3,5-dimethoxybenzene

1-(2-bromoethyl)-3,5-dimethoxybenzene (PubChem CID 12560827) has the molecular formula C10H13BrO2 and a molecular weight of 245.12 g/mol. Its IUPAC name is 1-(2-bromoethyl)-3,5-dimethoxybenzene.

Molecular Properties

Compound Name1-(2-bromoethyl)-3,5-dimethoxybenzene
PubChem CID12560827
Molecular FormulaC10H13BrO2
Molecular Weight245.12 g/mol
Exact Mass244.01
IUPAC Name1-(2-bromoethyl)-3,5-dimethoxybenzene
SMILESCOc1cc(CCBr)cc(OC)c1
InChIInChI=1S/C10H13BrO2/c1-12-9-5-8(3-4-11)6-10(7-9)13-2/h5-7H,3-4H2,1-2H3
InChIKeyUAEVVYMBABKZOM-UHFFFAOYSA-N
XLogP2.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromoethyl)-3-methoxy-5-methylbenzene
CID 174367623
1-[2-(3,5-dimethoxyphenyl)ethyl]-3,5-dimethoxybenzene
CID 4670736
3-(2-bromoethyl)-5-methoxypyridine
CID 22037882
2-(3,5-dimethoxyphenyl)ethyl-trimethoxysilane
CID 59566880
sodium 2-(3,5-dimethoxyphenyl)ethanolate
CID 175142417
1-butyl-3,5-dimethoxybenzene
CID 524875
3-(3,5-dimethoxyphenyl)prop-1-en-2-ol;ethane
CID 144585769
1,3-dimethoxy-5-(2-nitrosoethyl)benzene
CID 132967337
1-[(E)-7-bromo-4-methylhept-3-enyl]-3,5-dimethoxybenzene
CID 10381768
3-(2-bromoethyl)-1,6,8-trimethoxyanthracene-9,10-dione
CID 174622145
1-(3-bromopropoxy)-3,5-dimethoxybenzene
CID 12959383
phosphane;1,3,5-trimethoxybenzene
CID 175232895

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethyl)-3,5-dimethoxybenzene?
The IUPAC name of 1-(2-bromoethyl)-3,5-dimethoxybenzene (CID 12560827) is 1-(2-bromoethyl)-3,5-dimethoxybenzene.
What is the SMILES notation for 1-(2-bromoethyl)-3,5-dimethoxybenzene?
The canonical SMILES for 1-(2-bromoethyl)-3,5-dimethoxybenzene is COc1cc(CCBr)cc(OC)c1.
What is the InChIKey of 1-(2-bromoethyl)-3,5-dimethoxybenzene?
The InChIKey is UAEVVYMBABKZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO2/c1-12-9-5-8(3-4-11)6-10(7-9)13-2/h5-7H,3-4H2,1-2H3.
What are the key properties of 1-(2-bromoethyl)-3,5-dimethoxybenzene?
1-(2-bromoethyl)-3,5-dimethoxybenzene has a molecular weight of 245.12 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethyl)-3,5-dimethoxybenzene is sourced from PubChem (CID 12560827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).