1-[5-bromo-2-(ethoxymethoxy)phenyl]ethanol

C11H15BrO3 — CID 65369644

IUPAC1-[5-bromo-2-(ethoxymethoxy)phenyl]ethanol
SMILESCCOCOc1ccc(Br)cc1C(C)O
InChIInChI=1S/C11H15BrO3/c1-3-14-7-15-11-5-4-9(12)6-10(11)8(2)13/h4-6,8,13H,3,7H2,1-2H3
InChIKeyXYFRIZFYMGNGQC-UHFFFAOYSA-N
MW275.14 g/mol
LogP2.88
Rot. Bonds5

About 1-[5-bromo-2-(ethoxymethoxy)phenyl]ethanol

1-[5-bromo-2-(ethoxymethoxy)phenyl]ethanol (PubChem CID 65369644) has the molecular formula C11H15BrO3 and a molecular weight of 275.14 g/mol. Its IUPAC name is 1-[5-bromo-2-(ethoxymethoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[5-bromo-2-(ethoxymethoxy)phenyl]ethanol
PubChem CID65369644
Molecular FormulaC11H15BrO3
Molecular Weight275.14 g/mol
Exact Mass274.02
IUPAC Name1-[5-bromo-2-(ethoxymethoxy)phenyl]ethanol
SMILESCCOCOc1ccc(Br)cc1C(C)O
InChIInChI=1S/C11H15BrO3/c1-3-14-7-15-11-5-4-9(12)6-10(11)8(2)13/h4-6,8,13H,3,7H2,1-2H3
InChIKeyXYFRIZFYMGNGQC-UHFFFAOYSA-N
XLogP2.88
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.14
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-[5-bromo-2-(methoxymethoxy)phenyl]ethanol
CID 79005339
2-[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-N-ethyl-N-methylacetamide
CID 78932238
1-(5-bromo-2-nonoxyphenyl)ethanol
CID 63533540
(1R)-1-(5-bromo-2-nonoxyphenyl)ethanol
CID 63532943
(1S)-1-(5-bromo-2-nonoxyphenyl)ethanol
CID 78944591
(1S)-1-[5-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanol
CID 104564070
(1R)-1-[5-bromo-2-(2-phenoxyethoxy)phenyl]ethanol
CID 63365910
1-[5-bromo-2-(3-fluoropropoxy)phenyl]ethanol
CID 81113258
1-[4-bromo-2-(ethoxymethoxy)phenyl]ethanamine
CID 102946236
(1R)-1-[5-bromo-2-(3-fluoropropoxy)phenyl]ethanol
CID 81114812
(1R)-1-(4-bromo-2-ethoxyphenyl)ethanol
CID 102948595
(1S)-1-[5-bromo-2-[(2-bromophenyl)methoxy]phenyl]ethanol
CID 55189545

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(ethoxymethoxy)phenyl]ethanol?
The IUPAC name of 1-[5-bromo-2-(ethoxymethoxy)phenyl]ethanol (CID 65369644) is 1-[5-bromo-2-(ethoxymethoxy)phenyl]ethanol.
What is the SMILES notation for 1-[5-bromo-2-(ethoxymethoxy)phenyl]ethanol?
The canonical SMILES for 1-[5-bromo-2-(ethoxymethoxy)phenyl]ethanol is CCOCOc1ccc(Br)cc1C(C)O.
What is the InChIKey of 1-[5-bromo-2-(ethoxymethoxy)phenyl]ethanol?
The InChIKey is XYFRIZFYMGNGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO3/c1-3-14-7-15-11-5-4-9(12)6-10(11)8(2)13/h4-6,8,13H,3,7H2,1-2H3.
What are the key properties of 1-[5-bromo-2-(ethoxymethoxy)phenyl]ethanol?
1-[5-bromo-2-(ethoxymethoxy)phenyl]ethanol has a molecular weight of 275.14 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(ethoxymethoxy)phenyl]ethanol is sourced from PubChem (CID 65369644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).