1-bromo-3-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]benzene

C14H21BrO4 — CID 103404159

IUPAC1-bromo-3-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]benzene
SMILESCOCCOCCCOCCOc1cccc(Br)c1
InChIInChI=1S/C14H21BrO4/c1-16-8-9-17-6-3-7-18-10-11-19-14-5-2-4-13(15)12-14/h2,4-5,12H,3,6-11H2,1H3
InChIKeyJABXDWYGCASMGS-UHFFFAOYSA-N
MW333.22 g/mol
LogP2.90
Rot. Bonds11

About 1-bromo-3-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]benzene

1-bromo-3-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]benzene (PubChem CID 103404159) has the molecular formula C14H21BrO4 and a molecular weight of 333.22 g/mol. Its IUPAC name is 1-bromo-3-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]benzene.

Molecular Properties

Compound Name1-bromo-3-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]benzene
PubChem CID103404159
Molecular FormulaC14H21BrO4
Molecular Weight333.22 g/mol
Exact Mass332.06
IUPAC Name1-bromo-3-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]benzene
SMILESCOCCOCCCOCCOc1cccc(Br)c1
InChIInChI=1S/C14H21BrO4/c1-16-8-9-17-6-3-7-18-10-11-19-14-5-2-4-13(15)12-14/h2,4-5,12H,3,6-11H2,1H3
InChIKeyJABXDWYGCASMGS-UHFFFAOYSA-N
XLogP2.90
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-3-[3-(2-methoxyethoxy)propoxy]benzene
CID 103409891
1-bromo-3-[2-(2-methoxyethoxy)ethoxy]benzene;ethane
CID 144931224
1-bromo-3-[2-[2-(4-ethoxyphenoxy)ethoxy]ethoxy]benzene
CID 2899232
1-iodo-3-[2-(3-methoxypropoxy)ethoxy]benzene
CID 103179889
1-(chloromethyl)-3-[3-(2-methoxyethoxy)propoxy]benzene
CID 103410378
[3-[3-[3-(2-methoxyethoxy)propoxy]propoxy]phenyl]methanamine
CID 103401471
1-bromo-3-[2-(4-methoxyphenoxy)ethoxy]benzene
CID 55327692
1-[3-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]phenyl]-N-methylmethanamine
CID 103406632
1-bromo-3-[2-[3-(methoxymethyl)phenoxy]ethoxy]benzene
CID 63987057
1-bromo-3-[2-(2-methoxyethylsulfanyl)ethoxy]benzene
CID 60732563
trifluoro-[3-[2-(3-methoxypropoxy)ethoxy]phenyl]boranuide
CID 103180900
2-[2-(3-bromophenoxy)ethoxy]-N-ethylethanamine
CID 62337630

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]benzene?
The IUPAC name of 1-bromo-3-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]benzene (CID 103404159) is 1-bromo-3-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]benzene.
What is the SMILES notation for 1-bromo-3-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]benzene?
The canonical SMILES for 1-bromo-3-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]benzene is COCCOCCCOCCOc1cccc(Br)c1.
What is the InChIKey of 1-bromo-3-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]benzene?
The InChIKey is JABXDWYGCASMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrO4/c1-16-8-9-17-6-3-7-18-10-11-19-14-5-2-4-13(15)12-14/h2,4-5,12H,3,6-11H2,1H3.
What are the key properties of 1-bromo-3-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]benzene?
1-bromo-3-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]benzene has a molecular weight of 333.22 g/mol, XLogP of 2.90, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]benzene is sourced from PubChem (CID 103404159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).