3-[2-(3-bromophenoxy)ethoxy]phenol

C14H13BrO3 — CID 39445112

IUPAC3-[2-(3-bromophenoxy)ethoxy]phenol
SMILESOc1cccc(OCCOc2cccc(Br)c2)c1
InChIInChI=1S/C14H13BrO3/c15-11-3-1-5-13(9-11)17-7-8-18-14-6-2-4-12(16)10-14/h1-6,9-10,16H,7-8H2
InChIKeyAQMOFJCGXNQLOI-UHFFFAOYSA-N
MW309.16 g/mol
LogP3.61
Rot. Bonds5

About 3-[2-(3-bromophenoxy)ethoxy]phenol

3-[2-(3-bromophenoxy)ethoxy]phenol (PubChem CID 39445112) has the molecular formula C14H13BrO3 and a molecular weight of 309.16 g/mol. Its IUPAC name is 3-[2-(3-bromophenoxy)ethoxy]phenol.

Molecular Properties

Compound Name3-[2-(3-bromophenoxy)ethoxy]phenol
PubChem CID39445112
Molecular FormulaC14H13BrO3
Molecular Weight309.16 g/mol
Exact Mass308.00
IUPAC Name3-[2-(3-bromophenoxy)ethoxy]phenol
SMILESOc1cccc(OCCOc2cccc(Br)c2)c1
InChIInChI=1S/C14H13BrO3/c15-11-3-1-5-13(9-11)17-7-8-18-14-6-2-4-12(16)10-14/h1-6,9-10,16H,7-8H2
InChIKeyAQMOFJCGXNQLOI-UHFFFAOYSA-N
XLogP3.61
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-[2-(3-bromophenoxy)ethoxy]phenyl]methanol
CID 60627615
1-bromo-3-[2-(4-methoxyphenoxy)ethoxy]benzene
CID 55327692
1-bromo-3-[2-[3-(methoxymethyl)phenoxy]ethoxy]benzene
CID 63987057
3-(3-bromophenoxy)propane-1-thiol
CID 79019350
[4-[2-(3-bromophenoxy)ethoxy]phenyl]methanamine
CID 43531130
4-[2-(3-bromophenoxy)ethoxy]-1,2-dichlorobenzene
CID 60626996
3-[2-(2,6-dimethylphenoxy)ethoxy]phenol
CID 39359626
1-bromo-3-[2-[3-(chloromethyl)phenoxy]ethoxy]benzene
CID 55224568
3-[1-amino-2-(3-bromophenoxy)ethyl]phenol
CID 117242719
3-(3-methoxy-3-methylbutoxy)phenol
CID 59527181
1-bromo-3-[2-(3-propan-2-ylphenoxy)ethoxy]benzene
CID 63457183
1-bromo-3-[2-(2-methoxyethoxy)ethoxy]benzene;ethane
CID 144931224

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-bromophenoxy)ethoxy]phenol?
The IUPAC name of 3-[2-(3-bromophenoxy)ethoxy]phenol (CID 39445112) is 3-[2-(3-bromophenoxy)ethoxy]phenol.
What is the SMILES notation for 3-[2-(3-bromophenoxy)ethoxy]phenol?
The canonical SMILES for 3-[2-(3-bromophenoxy)ethoxy]phenol is Oc1cccc(OCCOc2cccc(Br)c2)c1.
What is the InChIKey of 3-[2-(3-bromophenoxy)ethoxy]phenol?
The InChIKey is AQMOFJCGXNQLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO3/c15-11-3-1-5-13(9-11)17-7-8-18-14-6-2-4-12(16)10-14/h1-6,9-10,16H,7-8H2.
What are the key properties of 3-[2-(3-bromophenoxy)ethoxy]phenol?
3-[2-(3-bromophenoxy)ethoxy]phenol has a molecular weight of 309.16 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-bromophenoxy)ethoxy]phenol is sourced from PubChem (CID 39445112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).