[3-bromo-4-(2-methoxyethoxy)phenyl]-(2-fluorophenyl)methanol

C16H16BrFO3 — CID 104661372

IUPAC[3-bromo-4-(2-methoxyethoxy)phenyl]-(2-fluorophenyl)methanol
SMILESCOCCOc1ccc(C(O)c2ccccc2F)cc1Br
InChIInChI=1S/C16H16BrFO3/c1-20-8-9-21-15-7-6-11(10-13(15)17)16(19)12-4-2-3-5-14(12)18/h2-7,10,16,19H,8-9H2,1H3
InChIKeyZTYIFTLUNDKRKJ-UHFFFAOYSA-N
MW355.20 g/mol
LogP3.70
Rot. Bonds6

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

[3-bromo-4-(2-methoxyethoxy)phenyl]-(2-fluorophenyl)methanol (PubChem CID 104661372) has the molecular formula C16H16BrFO3 and a molecular weight of 355.20 g/mol. Its IUPAC name is [3-bromo-4-(2-methoxyethoxy)phenyl]-(2-fluorophenyl)methanol.

Molecular Properties

Compound Name[3-bromo-4-(2-methoxyethoxy)phenyl]-(2-fluorophenyl)methanol
PubChem CID104661372
Molecular FormulaC16H16BrFO3
Molecular Weight355.20 g/mol
Exact Mass354.03
IUPAC Name[3-bromo-4-(2-methoxyethoxy)phenyl]-(2-fluorophenyl)methanol
SMILESCOCCOc1ccc(C(O)c2ccccc2F)cc1Br
InChIInChI=1S/C16H16BrFO3/c1-20-8-9-21-15-7-6-11(10-13(15)17)16(19)12-4-2-3-5-14(12)18/h2-7,10,16,19H,8-9H2,1H3
InChIKeyZTYIFTLUNDKRKJ-UHFFFAOYSA-N
XLogP3.70
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.20
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [3-bromo-4-(2-methoxyethoxy)phenyl]-(2-fluorophenyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-bromo-4-(2-methoxyethoxy)phenyl]-(4-methylphenyl)methanol
CID 104661341
(4-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanol
CID 104658593
(3-bromo-4-propoxyphenyl)-(2-chlorophenyl)methanol
CID 104661270
(2-fluorophenyl)-[4-(2-methoxyethyl)phenyl]methanol
CID 61099399
(1S)-1-[3-bromo-4-(2-methoxyethoxy)phenyl]propan-1-ol
CID 104663507
(3-bromo-4-methoxyphenyl)-(2,3-difluorophenyl)methanol
CID 62660225
(3-bromo-4-methoxyphenyl)-(2-propoxyphenyl)methanol
CID 104658559
(3-bromo-4-fluorophenyl)-(2-propoxyphenyl)methanol
CID 104658638
2-bromo-4-(1-bromo-2,2-difluoroethyl)-1-(2-methoxyethoxy)benzene
CID 103514667
(3-bromo-4-ethoxyphenyl)-(2-iodophenyl)methanol
CID 104661098
1-[3-bromo-4-(2-methoxyethoxy)phenyl]ethanamine
CID 62911727
(3-bromo-4-propoxyphenyl)-(4-fluorophenyl)methanol
CID 104661170

Frequently Asked Questions

What is the IUPAC name of [3-bromo-4-(2-methoxyethoxy)phenyl]-(2-fluorophenyl)methanol?
The IUPAC name of [3-bromo-4-(2-methoxyethoxy)phenyl]-(2-fluorophenyl)methanol (CID 104661372) is [3-bromo-4-(2-methoxyethoxy)phenyl]-(2-fluorophenyl)methanol.
What is the SMILES notation for [3-bromo-4-(2-methoxyethoxy)phenyl]-(2-fluorophenyl)methanol?
The canonical SMILES for [3-bromo-4-(2-methoxyethoxy)phenyl]-(2-fluorophenyl)methanol is COCCOc1ccc(C(O)c2ccccc2F)cc1Br.
What is the InChIKey of [3-bromo-4-(2-methoxyethoxy)phenyl]-(2-fluorophenyl)methanol?
The InChIKey is ZTYIFTLUNDKRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFO3/c1-20-8-9-21-15-7-6-11(10-13(15)17)16(19)12-4-2-3-5-14(12)18/h2-7,10,16,19H,8-9H2,1H3.
What are the key properties of [3-bromo-4-(2-methoxyethoxy)phenyl]-(2-fluorophenyl)methanol?
[3-bromo-4-(2-methoxyethoxy)phenyl]-(2-fluorophenyl)methanol has a molecular weight of 355.20 g/mol, XLogP of 3.70, 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-methoxyethoxy)phenyl]-(2-fluorophenyl)methanol is sourced from PubChem (CID 104661372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).