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

C16H16BrFO2 — CID 79449548

IUPAC3-(3-bromo-4-methoxyphenyl)-2-(2-fluorophenyl)propan-1-ol
SMILESCOc1ccc(CC(CO)c2ccccc2F)cc1Br
InChIInChI=1S/C16H16BrFO2/c1-20-16-7-6-11(9-14(16)17)8-12(10-19)13-4-2-3-5-15(13)18/h2-7,9,12,19H,8,10H2,1H3
InChIKeySUWWTFHOQFAZLD-UHFFFAOYSA-N
MW339.20 g/mol
LogP3.92
Rot. Bonds5

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

3-(3-bromo-4-methoxyphenyl)-2-(2-fluorophenyl)propan-1-ol (PubChem CID 79449548) has the molecular formula C16H16BrFO2 and a molecular weight of 339.20 g/mol. Its IUPAC name is 3-(3-bromo-4-methoxyphenyl)-2-(2-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-(3-bromo-4-methoxyphenyl)-2-(2-fluorophenyl)propan-1-ol
PubChem CID79449548
Molecular FormulaC16H16BrFO2
Molecular Weight339.20 g/mol
Exact Mass338.03
IUPAC Name3-(3-bromo-4-methoxyphenyl)-2-(2-fluorophenyl)propan-1-ol
SMILESCOc1ccc(CC(CO)c2ccccc2F)cc1Br
InChIInChI=1S/C16H16BrFO2/c1-20-16-7-6-11(9-14(16)17)8-12(10-19)13-4-2-3-5-15(13)18/h2-7,9,12,19H,8,10H2,1H3
InChIKeySUWWTFHOQFAZLD-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-bromo-4-methoxyphenyl)-2-(2-bromophenyl)propan-1-ol
CID 79454756
3-(3-bromo-4-methoxyphenyl)-2-(2-chlorophenyl)propan-1-ol
CID 79454053
2-(3-bromo-4-methoxyphenyl)-1-(2-chloro-3-fluorophenyl)ethanol
CID 115779483
2-(3-bromo-4-methoxyphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanol
CID 115779414
2-benzyl-3-(3-bromo-4-methoxyphenyl)propan-1-ol
CID 66057473
1-(4-bromo-2-fluorophenyl)-2-(3-bromo-4-methoxyphenyl)ethanol
CID 63893179
3-(3-fluoro-4-methoxyphenyl)-2-phenylpropan-1-ol
CID 66059844
2-[(3-bromo-4-methoxyphenyl)methyl]-3-(2-fluorophenyl)propan-1-amine
CID 62531224
2-[(3-bromo-4-methoxyphenyl)methyl]-3-methylbutan-1-ol
CID 66060269
2-(3-bromo-4-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanol
CID 115779451
2-(2-bromophenyl)-3-(4-chloro-3-fluorophenyl)propan-1-ol
CID 107895001
2-bromo-1-methoxy-4-(2-methylpropyl)benzene
CID 115044915

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-methoxyphenyl)-2-(2-fluorophenyl)propan-1-ol?
The IUPAC name of 3-(3-bromo-4-methoxyphenyl)-2-(2-fluorophenyl)propan-1-ol (CID 79449548) is 3-(3-bromo-4-methoxyphenyl)-2-(2-fluorophenyl)propan-1-ol.
What is the SMILES notation for 3-(3-bromo-4-methoxyphenyl)-2-(2-fluorophenyl)propan-1-ol?
The canonical SMILES for 3-(3-bromo-4-methoxyphenyl)-2-(2-fluorophenyl)propan-1-ol is COc1ccc(CC(CO)c2ccccc2F)cc1Br.
What is the InChIKey of 3-(3-bromo-4-methoxyphenyl)-2-(2-fluorophenyl)propan-1-ol?
The InChIKey is SUWWTFHOQFAZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFO2/c1-20-16-7-6-11(9-14(16)17)8-12(10-19)13-4-2-3-5-15(13)18/h2-7,9,12,19H,8,10H2,1H3.
What are the key properties of 3-(3-bromo-4-methoxyphenyl)-2-(2-fluorophenyl)propan-1-ol?
3-(3-bromo-4-methoxyphenyl)-2-(2-fluorophenyl)propan-1-ol has a molecular weight of 339.20 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-methoxyphenyl)-2-(2-fluorophenyl)propan-1-ol is sourced from PubChem (CID 79449548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).