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

C16H16BrFO2 — CID 81436909

IUPAC1-(4-bromo-3-fluorophenyl)-3-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(CCC(O)c2ccc(Br)c(F)c2)cc1
InChIInChI=1S/C16H16BrFO2/c1-20-13-6-2-11(3-7-13)4-9-16(19)12-5-8-14(17)15(18)10-12/h2-3,5-8,10,16,19H,4,9H2,1H3
InChIKeyWRYLMDVSOXJTMO-UHFFFAOYSA-N
MW339.20 g/mol
LogP4.26
Rot. Bonds5

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

1-(4-bromo-3-fluorophenyl)-3-(4-methoxyphenyl)propan-1-ol (PubChem CID 81436909) has the molecular formula C16H16BrFO2 and a molecular weight of 339.20 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenyl)-3-(4-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name1-(4-bromo-3-fluorophenyl)-3-(4-methoxyphenyl)propan-1-ol
PubChem CID81436909
Molecular FormulaC16H16BrFO2
Molecular Weight339.20 g/mol
Exact Mass338.03
IUPAC Name1-(4-bromo-3-fluorophenyl)-3-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(CCC(O)c2ccc(Br)c(F)c2)cc1
InChIInChI=1S/C16H16BrFO2/c1-20-13-6-2-11(3-7-13)4-9-16(19)12-5-8-14(17)15(18)10-12/h2-3,5-8,10,16,19H,4,9H2,1H3
InChIKeyWRYLMDVSOXJTMO-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

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Related Compounds

1-(3-bromo-5-fluorophenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 66425822
1-(2-bromo-6-fluorophenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 114885667
1-(4-ethylphenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 61089071
1-(6-methoxynaphthalen-2-yl)-3-(4-methylphenyl)propan-1-ol
CID 102441860
1-(4-chloro-3-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 115818086
1-(3-iodophenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 115803162
1-(4-bromo-3-fluorophenyl)nonan-1-ol
CID 81436906
3-(3-methoxyphenyl)-1-(4-methoxyphenyl)propan-1-ol
CID 12648153
7-(4-hydroxyphenyl)-1-(4-methoxyphenyl)heptane-1,5-diol
CID 165355377
3-[1-hydroxy-3-(4-methoxyphenyl)propyl]benzonitrile
CID 115481149
1-(2,3-difluoro-4-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 107516243
1-(3-bromo-4-fluorophenyl)-4-(4-methoxyphenyl)butan-2-amine
CID 115818682

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-fluorophenyl)-3-(4-methoxyphenyl)propan-1-ol?
The IUPAC name of 1-(4-bromo-3-fluorophenyl)-3-(4-methoxyphenyl)propan-1-ol (CID 81436909) is 1-(4-bromo-3-fluorophenyl)-3-(4-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 1-(4-bromo-3-fluorophenyl)-3-(4-methoxyphenyl)propan-1-ol?
The canonical SMILES for 1-(4-bromo-3-fluorophenyl)-3-(4-methoxyphenyl)propan-1-ol is COc1ccc(CCC(O)c2ccc(Br)c(F)c2)cc1.
What is the InChIKey of 1-(4-bromo-3-fluorophenyl)-3-(4-methoxyphenyl)propan-1-ol?
The InChIKey is WRYLMDVSOXJTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFO2/c1-20-13-6-2-11(3-7-13)4-9-16(19)12-5-8-14(17)15(18)10-12/h2-3,5-8,10,16,19H,4,9H2,1H3.
What are the key properties of 1-(4-bromo-3-fluorophenyl)-3-(4-methoxyphenyl)propan-1-ol?
1-(4-bromo-3-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-(4-bromo-3-fluorophenyl)-3-(4-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 81436909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).