1-(2-bromo-6-fluorophenyl)-3-(4-methoxyphenyl)propan-1-ol

C16H16BrFO2 — CID 114885667

IUPAC1-(2-bromo-6-fluorophenyl)-3-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(CCC(O)c2c(F)cccc2Br)cc1
InChIInChI=1S/C16H16BrFO2/c1-20-12-8-5-11(6-9-12)7-10-15(19)16-13(17)3-2-4-14(16)18/h2-6,8-9,15,19H,7,10H2,1H3
InChIKeyYAXVYKIOHVTFLL-UHFFFAOYSA-N
MW339.20 g/mol
LogP4.26
Rot. Bonds5

About 1-(2-bromo-6-fluorophenyl)-3-(4-methoxyphenyl)propan-1-ol

1-(2-bromo-6-fluorophenyl)-3-(4-methoxyphenyl)propan-1-ol (PubChem CID 114885667) has the molecular formula C16H16BrFO2 and a molecular weight of 339.20 g/mol. Its IUPAC name is 1-(2-bromo-6-fluorophenyl)-3-(4-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name1-(2-bromo-6-fluorophenyl)-3-(4-methoxyphenyl)propan-1-ol
PubChem CID114885667
Molecular FormulaC16H16BrFO2
Molecular Weight339.20 g/mol
Exact Mass338.03
IUPAC Name1-(2-bromo-6-fluorophenyl)-3-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(CCC(O)c2c(F)cccc2Br)cc1
InChIInChI=1S/C16H16BrFO2/c1-20-12-8-5-11(6-9-12)7-10-15(19)16-13(17)3-2-4-14(16)18/h2-6,8-9,15,19H,7,10H2,1H3
InChIKeyYAXVYKIOHVTFLL-UHFFFAOYSA-N
XLogP4.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.20
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-bromo-6-fluorophenyl)-3-(4-methoxyphenyl)propan-1-ol 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

1-(4-bromo-3-fluorophenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 81436909
(2-bromo-6-fluorophenyl)-(4-methoxyphenyl)methanol
CID 114560429
1-(2-bromo-6-fluorophenyl)-3-thiophen-3-ylpropan-1-ol
CID 114885636
1-(2-bromo-3-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 107985716
1-(2-bromo-6-fluorophenyl)propan-1-ol
CID 58089861
1-(2-bromo-6-fluorophenyl)-4,4-dimethylpentan-1-ol
CID 114885662
1-(2-bromo-6-fluorophenyl)-2-(4-ethylphenyl)ethanol
CID 114885678
1-(3-bromo-5-fluorophenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 66425822
1-(2-bromo-6-fluorophenyl)-2-ethoxyethanol
CID 114885640
1-(2-bromo-6-fluorophenyl)-2-propan-2-yloxyethanol
CID 114885627
2,6-dibromo-N-[4-(4-methoxyphenyl)butan-2-yl]aniline
CID 107597022
1-(2,3-difluoro-4-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 107516243

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-fluorophenyl)-3-(4-methoxyphenyl)propan-1-ol?
The IUPAC name of 1-(2-bromo-6-fluorophenyl)-3-(4-methoxyphenyl)propan-1-ol (CID 114885667) is 1-(2-bromo-6-fluorophenyl)-3-(4-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 1-(2-bromo-6-fluorophenyl)-3-(4-methoxyphenyl)propan-1-ol?
The canonical SMILES for 1-(2-bromo-6-fluorophenyl)-3-(4-methoxyphenyl)propan-1-ol is COc1ccc(CCC(O)c2c(F)cccc2Br)cc1.
What is the InChIKey of 1-(2-bromo-6-fluorophenyl)-3-(4-methoxyphenyl)propan-1-ol?
The InChIKey is YAXVYKIOHVTFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFO2/c1-20-12-8-5-11(6-9-12)7-10-15(19)16-13(17)3-2-4-14(16)18/h2-6,8-9,15,19H,7,10H2,1H3.
What are the key properties of 1-(2-bromo-6-fluorophenyl)-3-(4-methoxyphenyl)propan-1-ol?
1-(2-bromo-6-fluorophenyl)-3-(4-methoxyphenyl)propan-1-ol has a molecular weight of 339.20 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-fluorophenyl)-3-(4-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 114885667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).