[3-bromo-4-(2-phenoxyethoxy)phenyl]methanol

C15H15BrO3 — CID 55146760

IUPAC[3-bromo-4-(2-phenoxyethoxy)phenyl]methanol
SMILESOCc1ccc(OCCOc2ccccc2)c(Br)c1
InChIInChI=1S/C15H15BrO3/c16-14-10-12(11-17)6-7-15(14)19-9-8-18-13-4-2-1-3-5-13/h1-7,10,17H,8-9,11H2
InChIKeyWEBKWFZTWTUEOE-UHFFFAOYSA-N
MW323.19 g/mol
LogP3.40
Rot. Bonds6

About [3-bromo-4-(2-phenoxyethoxy)phenyl]methanol

[3-bromo-4-(2-phenoxyethoxy)phenyl]methanol (PubChem CID 55146760) has the molecular formula C15H15BrO3 and a molecular weight of 323.19 g/mol. Its IUPAC name is [3-bromo-4-(2-phenoxyethoxy)phenyl]methanol.

Molecular Properties

Compound Name[3-bromo-4-(2-phenoxyethoxy)phenyl]methanol
PubChem CID55146760
Molecular FormulaC15H15BrO3
Molecular Weight323.19 g/mol
Exact Mass322.02
IUPAC Name[3-bromo-4-(2-phenoxyethoxy)phenyl]methanol
SMILESOCc1ccc(OCCOc2ccccc2)c(Br)c1
InChIInChI=1S/C15H15BrO3/c16-14-10-12(11-17)6-7-15(14)19-9-8-18-13-4-2-1-3-5-13/h1-7,10,17H,8-9,11H2
InChIKeyWEBKWFZTWTUEOE-UHFFFAOYSA-N
XLogP3.40
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 53.40
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

[3-bromo-4-(2-phenylethoxy)phenyl]methanol
CID 63050620
[3-bromo-4-(3-phenylpropoxy)phenyl]methanol
CID 63051637
[3-bromo-4-(4-phenylbutoxy)phenyl]methanol
CID 114333931
3-[2-bromo-4-(hydroxymethyl)phenoxy]propan-1-ol
CID 63050271
[3-fluoro-4-(3-phenoxypropoxy)phenyl]methanol
CID 107690963
2-bromo-4-methyl-1-(3-phenoxypropoxy)benzene
CID 55027204
3-bromo-4-(3-phenoxypropoxy)benzoic acid
CID 60665421
methyl 3-bromo-4-(2-phenoxyethoxy)benzoate
CID 54793322
2-(2-bromo-4-ethylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 17130889
[4-[2-(3-bromophenoxy)ethoxy]phenyl]methanol
CID 60627615
1-bromo-2-(3-phenoxypropoxy)benzene
CID 60665314
1-bromo-2-(4-phenoxybutoxy)benzene
CID 54285155

Frequently Asked Questions

What is the IUPAC name of [3-bromo-4-(2-phenoxyethoxy)phenyl]methanol?
The IUPAC name of [3-bromo-4-(2-phenoxyethoxy)phenyl]methanol (CID 55146760) is [3-bromo-4-(2-phenoxyethoxy)phenyl]methanol.
What is the SMILES notation for [3-bromo-4-(2-phenoxyethoxy)phenyl]methanol?
The canonical SMILES for [3-bromo-4-(2-phenoxyethoxy)phenyl]methanol is OCc1ccc(OCCOc2ccccc2)c(Br)c1.
What is the InChIKey of [3-bromo-4-(2-phenoxyethoxy)phenyl]methanol?
The InChIKey is WEBKWFZTWTUEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO3/c16-14-10-12(11-17)6-7-15(14)19-9-8-18-13-4-2-1-3-5-13/h1-7,10,17H,8-9,11H2.
What are the key properties of [3-bromo-4-(2-phenoxyethoxy)phenyl]methanol?
[3-bromo-4-(2-phenoxyethoxy)phenyl]methanol has a molecular weight of 323.19 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-4-(2-phenoxyethoxy)phenyl]methanol is sourced from PubChem (CID 55146760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).