2-[4-(3-bromophenoxy)phenyl]-4-fluorobutan-2-ol

C16H16BrFO2 — CID 54141082

IUPAC2-[4-(3-bromophenoxy)phenyl]-4-fluorobutan-2-ol
SMILESCC(O)(CCF)c1ccc(Oc2cccc(Br)c2)cc1
InChIInChI=1S/C16H16BrFO2/c1-16(19,9-10-18)12-5-7-14(8-6-12)20-15-4-2-3-13(17)11-15/h2-8,11,19H,9-10H2,1H3
InChIKeyOBDQCHOFXCXICZ-UHFFFAOYSA-N
MW339.20 g/mol
LogP4.81
Rot. Bonds5

About 2-[4-(3-bromophenoxy)phenyl]-4-fluorobutan-2-ol

2-[4-(3-bromophenoxy)phenyl]-4-fluorobutan-2-ol (PubChem CID 54141082) has the molecular formula C16H16BrFO2 and a molecular weight of 339.20 g/mol. Its IUPAC name is 2-[4-(3-bromophenoxy)phenyl]-4-fluorobutan-2-ol.

Molecular Properties

Compound Name2-[4-(3-bromophenoxy)phenyl]-4-fluorobutan-2-ol
PubChem CID54141082
Molecular FormulaC16H16BrFO2
Molecular Weight339.20 g/mol
Exact Mass338.03
IUPAC Name2-[4-(3-bromophenoxy)phenyl]-4-fluorobutan-2-ol
SMILESCC(O)(CCF)c1ccc(Oc2cccc(Br)c2)cc1
InChIInChI=1S/C16H16BrFO2/c1-16(19,9-10-18)12-5-7-14(8-6-12)20-15-4-2-3-13(17)11-15/h2-8,11,19H,9-10H2,1H3
InChIKeyOBDQCHOFXCXICZ-UHFFFAOYSA-N
XLogP4.81
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 ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-2-[4-(3-methylphenoxy)phenyl]butan-2-ol
CID 21396558
2-[4-(3-chlorophenoxy)phenyl]-4-fluorobutan-2-ol
CID 54436869
4-bromo-2-[4-(4-bromophenoxy)phenyl]butan-2-ol
CID 21396474
2-[4-(4-bromophenoxy)phenyl]-4-chlorobutan-2-ol
CID 21396616
bis[4-(3-bromophenoxy)phenyl]methanone
CID 22494465
1-(3-bromophenoxy)-2,3-dimethylbutan-2-ol
CID 114447732
1-tert-butyl-3-(4-tert-butylphenoxy)benzene
CID 58542650
(E)-3-[4-(3-bromophenoxy)phenyl]prop-2-enoic acid
CID 29058852
1-bromo-3-(4-phenylmethoxyphenoxy)benzene
CID 44818238
N-[2-(3-bromophenoxy)ethyl]-4-tert-butylaniline
CID 63490147
2-(3-bromophenyl)-1-methoxypropan-2-ol
CID 79566424
3-[4-(4-aminophenoxy)phenyl]butane-1,3-diol
CID 54340762

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-bromophenoxy)phenyl]-4-fluorobutan-2-ol?
The IUPAC name of 2-[4-(3-bromophenoxy)phenyl]-4-fluorobutan-2-ol (CID 54141082) is 2-[4-(3-bromophenoxy)phenyl]-4-fluorobutan-2-ol.
What is the SMILES notation for 2-[4-(3-bromophenoxy)phenyl]-4-fluorobutan-2-ol?
The canonical SMILES for 2-[4-(3-bromophenoxy)phenyl]-4-fluorobutan-2-ol is CC(O)(CCF)c1ccc(Oc2cccc(Br)c2)cc1.
What is the InChIKey of 2-[4-(3-bromophenoxy)phenyl]-4-fluorobutan-2-ol?
The InChIKey is OBDQCHOFXCXICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFO2/c1-16(19,9-10-18)12-5-7-14(8-6-12)20-15-4-2-3-13(17)11-15/h2-8,11,19H,9-10H2,1H3.
What are the key properties of 2-[4-(3-bromophenoxy)phenyl]-4-fluorobutan-2-ol?
2-[4-(3-bromophenoxy)phenyl]-4-fluorobutan-2-ol has a molecular weight of 339.20 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-bromophenoxy)phenyl]-4-fluorobutan-2-ol is sourced from PubChem (CID 54141082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).