1-[4-[2-(4-bromophenoxy)ethoxy]-2-fluorophenyl]ethanol

C16H16BrFO3 — CID 107719528

IUPAC1-[4-[2-(4-bromophenoxy)ethoxy]-2-fluorophenyl]ethanol
SMILESCC(O)c1ccc(OCCOc2ccc(Br)cc2)cc1F
InChIInChI=1S/C16H16BrFO3/c1-11(19)15-7-6-14(10-16(15)18)21-9-8-20-13-4-2-12(17)3-5-13/h2-7,10-11,19H,8-9H2,1H3
InChIKeyGPUXURLIQAQTMO-UHFFFAOYSA-N
MW355.20 g/mol
LogP4.10
Rot. Bonds6

About 1-[4-[2-(4-bromophenoxy)ethoxy]-2-fluorophenyl]ethanol

1-[4-[2-(4-bromophenoxy)ethoxy]-2-fluorophenyl]ethanol (PubChem CID 107719528) has the molecular formula C16H16BrFO3 and a molecular weight of 355.20 g/mol. Its IUPAC name is 1-[4-[2-(4-bromophenoxy)ethoxy]-2-fluorophenyl]ethanol.

Molecular Properties

Compound Name1-[4-[2-(4-bromophenoxy)ethoxy]-2-fluorophenyl]ethanol
PubChem CID107719528
Molecular FormulaC16H16BrFO3
Molecular Weight355.20 g/mol
Exact Mass354.03
IUPAC Name1-[4-[2-(4-bromophenoxy)ethoxy]-2-fluorophenyl]ethanol
SMILESCC(O)c1ccc(OCCOc2ccc(Br)cc2)cc1F
InChIInChI=1S/C16H16BrFO3/c1-11(19)15-7-6-14(10-16(15)18)21-9-8-20-13-4-2-12(17)3-5-13/h2-7,10-11,19H,8-9H2,1H3
InChIKeyGPUXURLIQAQTMO-UHFFFAOYSA-N
XLogP4.10
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.20
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-fluoro-4-propoxyphenyl)ethanol
CID 107719521
1-[2-fluoro-4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanol
CID 107719630
(1S)-1-[4-[(5-bromo-2-fluorophenyl)methoxy]-2-fluorophenyl]ethanol
CID 107720483
(1R)-1-[4-[2-(dimethylamino)ethoxy]-2-fluorophenyl]ethanol
CID 107720300
(1R)-1-[4-(3,3-dimethylbutoxy)-2-fluorophenyl]ethanol
CID 107719914
1-[4-(3-ethoxypropoxy)-2-fluorophenyl]ethanol
CID 107719818
(1S)-1-[4-(2-ethylsulfanylethoxy)-2-fluorophenyl]ethanol
CID 107720663
(1R)-1-[2-fluoro-4-(methoxymethoxy)phenyl]ethanol
CID 107720039
1-[4-(3-ethylsulfanylpropoxy)-2-fluorophenyl]ethanol
CID 107719614
(1S)-1-[2-fluoro-4-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol
CID 107720305
(1R)-1-(2-fluoro-4-prop-2-enoxyphenyl)ethanol
CID 107719948
1-[2-fluoro-4-(2-methylprop-2-enoxy)phenyl]ethanol
CID 107719530

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-bromophenoxy)ethoxy]-2-fluorophenyl]ethanol?
The IUPAC name of 1-[4-[2-(4-bromophenoxy)ethoxy]-2-fluorophenyl]ethanol (CID 107719528) is 1-[4-[2-(4-bromophenoxy)ethoxy]-2-fluorophenyl]ethanol.
What is the SMILES notation for 1-[4-[2-(4-bromophenoxy)ethoxy]-2-fluorophenyl]ethanol?
The canonical SMILES for 1-[4-[2-(4-bromophenoxy)ethoxy]-2-fluorophenyl]ethanol is CC(O)c1ccc(OCCOc2ccc(Br)cc2)cc1F.
What is the InChIKey of 1-[4-[2-(4-bromophenoxy)ethoxy]-2-fluorophenyl]ethanol?
The InChIKey is GPUXURLIQAQTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFO3/c1-11(19)15-7-6-14(10-16(15)18)21-9-8-20-13-4-2-12(17)3-5-13/h2-7,10-11,19H,8-9H2,1H3.
What are the key properties of 1-[4-[2-(4-bromophenoxy)ethoxy]-2-fluorophenyl]ethanol?
1-[4-[2-(4-bromophenoxy)ethoxy]-2-fluorophenyl]ethanol has a molecular weight of 355.20 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-bromophenoxy)ethoxy]-2-fluorophenyl]ethanol is sourced from PubChem (CID 107719528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).