1-bromo-4-(2-methoxyethoxy)-2-(3-methoxypropyl)benzene

C13H19BrO3 — CID 58083361

IUPAC1-bromo-4-(2-methoxyethoxy)-2-(3-methoxypropyl)benzene
SMILESCOCCCc1cc(OCCOC)ccc1Br
InChIInChI=1S/C13H19BrO3/c1-15-7-3-4-11-10-12(5-6-13(11)14)17-9-8-16-2/h5-6,10H,3-4,7-9H2,1-2H3
InChIKeyFRHNLKDWJOKIMZ-UHFFFAOYSA-N
MW303.20 g/mol
LogP3.05
Rot. Bonds8

About 1-bromo-4-(2-methoxyethoxy)-2-(3-methoxypropyl)benzene

1-bromo-4-(2-methoxyethoxy)-2-(3-methoxypropyl)benzene (PubChem CID 58083361) has the molecular formula C13H19BrO3 and a molecular weight of 303.20 g/mol. Its IUPAC name is 1-bromo-4-(2-methoxyethoxy)-2-(3-methoxypropyl)benzene.

Molecular Properties

Compound Name1-bromo-4-(2-methoxyethoxy)-2-(3-methoxypropyl)benzene
PubChem CID58083361
Molecular FormulaC13H19BrO3
Molecular Weight303.20 g/mol
Exact Mass302.05
IUPAC Name1-bromo-4-(2-methoxyethoxy)-2-(3-methoxypropyl)benzene
SMILESCOCCCc1cc(OCCOC)ccc1Br
InChIInChI=1S/C13H19BrO3/c1-15-7-3-4-11-10-12(5-6-13(11)14)17-9-8-16-2/h5-6,10H,3-4,7-9H2,1-2H3
InChIKeyFRHNLKDWJOKIMZ-UHFFFAOYSA-N
XLogP3.05
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-2-(bromomethyl)-4-(4-methoxybutoxy)benzene
CID 104648132
1-bromo-2-(bromomethyl)-4-[2-(3-methoxypropoxy)ethoxy]benzene
CID 103180775
N-[[2-bromo-5-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 103177897
1-[2-bromo-5-[2-(3-methoxypropoxy)ethoxy]phenyl]butan-2-amine
CID 103181894
2-bromo-1-fluoro-4-(4-methoxybutoxy)benzene
CID 115903983
[2-bromo-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
CID 107275281
methyl 4-(2-bromo-5-methoxyphenyl)butanoate
CID 134844592
2-bromo-1-(difluoromethyl)-4-(2-methoxyethoxy)benzene
CID 154815121
1-bromo-2-(bromomethyl)-4-(4-methylpentoxy)benzene
CID 83157625
1-bromo-4-methoxy-2-[[4-(2-methoxyethyl)phenoxy]methyl]benzene
CID 65326137
1-(2-bromo-5-methoxyphenyl)octan-4-one
CID 11255432
1-(2-bromo-5-methoxyphenyl)heptan-4-one
CID 65325757

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(2-methoxyethoxy)-2-(3-methoxypropyl)benzene?
The IUPAC name of 1-bromo-4-(2-methoxyethoxy)-2-(3-methoxypropyl)benzene (CID 58083361) is 1-bromo-4-(2-methoxyethoxy)-2-(3-methoxypropyl)benzene.
What is the SMILES notation for 1-bromo-4-(2-methoxyethoxy)-2-(3-methoxypropyl)benzene?
The canonical SMILES for 1-bromo-4-(2-methoxyethoxy)-2-(3-methoxypropyl)benzene is COCCCc1cc(OCCOC)ccc1Br.
What is the InChIKey of 1-bromo-4-(2-methoxyethoxy)-2-(3-methoxypropyl)benzene?
The InChIKey is FRHNLKDWJOKIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrO3/c1-15-7-3-4-11-10-12(5-6-13(11)14)17-9-8-16-2/h5-6,10H,3-4,7-9H2,1-2H3.
What are the key properties of 1-bromo-4-(2-methoxyethoxy)-2-(3-methoxypropyl)benzene?
1-bromo-4-(2-methoxyethoxy)-2-(3-methoxypropyl)benzene has a molecular weight of 303.20 g/mol, XLogP of 3.05, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(2-methoxyethoxy)-2-(3-methoxypropyl)benzene is sourced from PubChem (CID 58083361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).