1-(3-bromo-5-fluorophenyl)-3-(4-methoxyphenyl)propan-1-ol

C16H16BrFO2 — CID 66425822

IUPAC1-(3-bromo-5-fluorophenyl)-3-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(CCC(O)c2cc(F)cc(Br)c2)cc1
InChIInChI=1S/C16H16BrFO2/c1-20-15-5-2-11(3-6-15)4-7-16(19)12-8-13(17)10-14(18)9-12/h2-3,5-6,8-10,16,19H,4,7H2,1H3
InChIKeyRZLOKELDYIWXRB-UHFFFAOYSA-N
MW339.20 g/mol
LogP4.26
Rot. Bonds5

About 1-(3-bromo-5-fluorophenyl)-3-(4-methoxyphenyl)propan-1-ol

1-(3-bromo-5-fluorophenyl)-3-(4-methoxyphenyl)propan-1-ol (PubChem CID 66425822) has the molecular formula C16H16BrFO2 and a molecular weight of 339.20 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)-3-(4-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)-3-(4-methoxyphenyl)propan-1-ol
PubChem CID66425822
Molecular FormulaC16H16BrFO2
Molecular Weight339.20 g/mol
Exact Mass338.03
IUPAC Name1-(3-bromo-5-fluorophenyl)-3-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(CCC(O)c2cc(F)cc(Br)c2)cc1
InChIInChI=1S/C16H16BrFO2/c1-20-15-5-2-11(3-6-15)4-7-16(19)12-8-13(17)10-14(18)9-12/h2-3,5-6,8-10,16,19H,4,7H2,1H3
InChIKeyRZLOKELDYIWXRB-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-(4-bromo-3-fluorophenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 81436909
1-(3-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)ethanamine
CID 61079421
1-(3,5-difluorophenyl)-3-(4-methylphenyl)propan-1-ol
CID 105093256
1-(4-ethylphenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 61089071
(1R)-1-(3-bromo-5-fluorophenyl)-2-(4-methoxy-3-methylphenyl)ethanol
CID 68626598
1-(2-bromo-6-fluorophenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 114885667
1-(6-methoxynaphthalen-2-yl)-3-(4-methylphenyl)propan-1-ol
CID 102441860
1-(3-iodophenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 115803162
1-(3-bromo-5-fluorophenyl)-4-(4-methoxyphenyl)butan-2-one
CID 115786586
2-(3-bromo-5-fluorophenyl)-1-(2,5-dimethoxyphenyl)ethanol
CID 79699012
4-[4-[(3-bromo-5-fluorophenyl)methoxy]phenyl]butan-2-ol
CID 79698405
1-(4-chloro-3-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 115818086

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)-3-(4-methoxyphenyl)propan-1-ol?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)-3-(4-methoxyphenyl)propan-1-ol (CID 66425822) is 1-(3-bromo-5-fluorophenyl)-3-(4-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)-3-(4-methoxyphenyl)propan-1-ol?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)-3-(4-methoxyphenyl)propan-1-ol is COc1ccc(CCC(O)c2cc(F)cc(Br)c2)cc1.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)-3-(4-methoxyphenyl)propan-1-ol?
The InChIKey is RZLOKELDYIWXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFO2/c1-20-15-5-2-11(3-6-15)4-7-16(19)12-8-13(17)10-14(18)9-12/h2-3,5-6,8-10,16,19H,4,7H2,1H3.
What are the key properties of 1-(3-bromo-5-fluorophenyl)-3-(4-methoxyphenyl)propan-1-ol?
1-(3-bromo-5-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-(3-bromo-5-fluorophenyl)-3-(4-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 66425822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).