1-bromo-3-[2-[2-(4-ethoxyphenoxy)ethoxy]ethoxy]benzene

C18H21BrO4 — CID 2899232

IUPAC1-bromo-3-[2-[2-(4-ethoxyphenoxy)ethoxy]ethoxy]benzene
SMILESCCOc1ccc(OCCOCCOc2cccc(Br)c2)cc1
InChIInChI=1S/C18H21BrO4/c1-2-21-16-6-8-17(9-7-16)22-12-10-20-11-13-23-18-5-3-4-15(19)14-18/h3-9,14H,2,10-13H2,1H3
InChIKeySKAPZMFCKDPGTM-UHFFFAOYSA-N
MW381.27 g/mol
LogP4.32
Rot. Bonds10

About 1-bromo-3-[2-[2-(4-ethoxyphenoxy)ethoxy]ethoxy]benzene

1-bromo-3-[2-[2-(4-ethoxyphenoxy)ethoxy]ethoxy]benzene (PubChem CID 2899232) has the molecular formula C18H21BrO4 and a molecular weight of 381.27 g/mol. Its IUPAC name is 1-bromo-3-[2-[2-(4-ethoxyphenoxy)ethoxy]ethoxy]benzene.

Molecular Properties

Compound Name1-bromo-3-[2-[2-(4-ethoxyphenoxy)ethoxy]ethoxy]benzene
PubChem CID2899232
Molecular FormulaC18H21BrO4
Molecular Weight381.27 g/mol
Exact Mass380.06
IUPAC Name1-bromo-3-[2-[2-(4-ethoxyphenoxy)ethoxy]ethoxy]benzene
SMILESCCOc1ccc(OCCOCCOc2cccc(Br)c2)cc1
InChIInChI=1S/C18H21BrO4/c1-2-21-16-6-8-17(9-7-16)22-12-10-20-11-13-23-18-5-3-4-15(19)14-18/h3-9,14H,2,10-13H2,1H3
InChIKeySKAPZMFCKDPGTM-UHFFFAOYSA-N
XLogP4.32
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.27
LogP ≤ 54.32
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-ethoxybenzene;ethane
CID 143900364
1-bromo-3-[2-(2-methoxyethoxy)ethoxy]benzene;ethane
CID 144931224
1-bromo-3-[2-(4-methoxyphenoxy)ethoxy]benzene
CID 55327692
2-[2-(3-bromophenoxy)ethoxy]-N-ethylethanamine
CID 62337630
1-bromo-3-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]benzene
CID 103404159
1-bromo-3-[3-(2-methoxyethoxy)propoxy]benzene
CID 103409891
1,3-bis[2-(2-ethoxyethoxy)ethoxy]benzene
CID 118036057
[4-[2-(3-bromophenoxy)ethoxy]phenyl]methanamine
CID 43531130
(1R)-1-[4-[2-(3-bromophenoxy)ethoxy]phenyl]propan-1-ol
CID 63365689
N-[2-(3-bromophenoxy)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 55920744
[4-[2-(3-bromophenoxy)ethoxy]phenyl]methanol
CID 60627615
1,3-bis[2-[2-(4-ethylphenoxy)ethoxy]ethoxy]benzene
CID 102046454

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[2-[2-(4-ethoxyphenoxy)ethoxy]ethoxy]benzene?
The IUPAC name of 1-bromo-3-[2-[2-(4-ethoxyphenoxy)ethoxy]ethoxy]benzene (CID 2899232) is 1-bromo-3-[2-[2-(4-ethoxyphenoxy)ethoxy]ethoxy]benzene.
What is the SMILES notation for 1-bromo-3-[2-[2-(4-ethoxyphenoxy)ethoxy]ethoxy]benzene?
The canonical SMILES for 1-bromo-3-[2-[2-(4-ethoxyphenoxy)ethoxy]ethoxy]benzene is CCOc1ccc(OCCOCCOc2cccc(Br)c2)cc1.
What is the InChIKey of 1-bromo-3-[2-[2-(4-ethoxyphenoxy)ethoxy]ethoxy]benzene?
The InChIKey is SKAPZMFCKDPGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrO4/c1-2-21-16-6-8-17(9-7-16)22-12-10-20-11-13-23-18-5-3-4-15(19)14-18/h3-9,14H,2,10-13H2,1H3.
What are the key properties of 1-bromo-3-[2-[2-(4-ethoxyphenoxy)ethoxy]ethoxy]benzene?
1-bromo-3-[2-[2-(4-ethoxyphenoxy)ethoxy]ethoxy]benzene has a molecular weight of 381.27 g/mol, XLogP of 4.32, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[2-[2-(4-ethoxyphenoxy)ethoxy]ethoxy]benzene is sourced from PubChem (CID 2899232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).