1-[5-bromo-2-(3-chlorophenoxy)phenyl]ethanol

C14H12BrClO2 — CID 82970527

IUPAC1-[5-bromo-2-(3-chlorophenoxy)phenyl]ethanol
SMILESCC(O)c1cc(Br)ccc1Oc1cccc(Cl)c1
InChIInChI=1S/C14H12BrClO2/c1-9(17)13-7-10(15)5-6-14(13)18-12-4-2-3-11(16)8-12/h2-9,17H,1H3
InChIKeyLBOTVLGHXMFMCT-UHFFFAOYSA-N
MW327.61 g/mol
LogP4.95
Rot. Bonds3

About 1-[5-bromo-2-(3-chlorophenoxy)phenyl]ethanol

1-[5-bromo-2-(3-chlorophenoxy)phenyl]ethanol (PubChem CID 82970527) has the molecular formula C14H12BrClO2 and a molecular weight of 327.61 g/mol. Its IUPAC name is 1-[5-bromo-2-(3-chlorophenoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[5-bromo-2-(3-chlorophenoxy)phenyl]ethanol
PubChem CID82970527
Molecular FormulaC14H12BrClO2
Molecular Weight327.61 g/mol
Exact Mass325.97
IUPAC Name1-[5-bromo-2-(3-chlorophenoxy)phenyl]ethanol
SMILESCC(O)c1cc(Br)ccc1Oc1cccc(Cl)c1
InChIInChI=1S/C14H12BrClO2/c1-9(17)13-7-10(15)5-6-14(13)18-12-4-2-3-11(16)8-12/h2-9,17H,1H3
InChIKeyLBOTVLGHXMFMCT-UHFFFAOYSA-N
XLogP4.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.61
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-bromo-2-(3-chlorophenoxy)phenyl]ethanamine
CID 82975717
1-[5-bromo-2-(4-chloro-3-methylphenoxy)phenyl]ethanol
CID 82970379
1-[5-bromo-2-(2,5-dichlorophenoxy)phenyl]ethanol
CID 82970963
1-[5-bromo-2-(5-bromo-2-chlorophenoxy)phenyl]ethanol
CID 82970318
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CID 114892206
1-[5-bromo-2-(4-tert-butylphenoxy)phenyl]ethanol
CID 82957796
4-[4-bromo-2-(1-hydroxyethyl)phenoxy]benzonitrile
CID 82970383
1-[5-bromo-2-(2-chloro-4-fluorophenoxy)phenyl]ethanol
CID 82970752
(1R)-1-[2-(3-chlorophenoxy)-6-fluorophenyl]ethanol
CID 78941643
(1R)-1-[5-bromo-2-(2-phenoxyethoxy)phenyl]ethanol
CID 63365910
4-bromo-1-(chloromethyl)-2-(3-chlorophenoxy)benzene
CID 43365197
1-[5-bromo-2-(2-butan-2-ylphenoxy)phenyl]ethanol
CID 82959280

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(3-chlorophenoxy)phenyl]ethanol?
The IUPAC name of 1-[5-bromo-2-(3-chlorophenoxy)phenyl]ethanol (CID 82970527) is 1-[5-bromo-2-(3-chlorophenoxy)phenyl]ethanol.
What is the SMILES notation for 1-[5-bromo-2-(3-chlorophenoxy)phenyl]ethanol?
The canonical SMILES for 1-[5-bromo-2-(3-chlorophenoxy)phenyl]ethanol is CC(O)c1cc(Br)ccc1Oc1cccc(Cl)c1.
What is the InChIKey of 1-[5-bromo-2-(3-chlorophenoxy)phenyl]ethanol?
The InChIKey is LBOTVLGHXMFMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClO2/c1-9(17)13-7-10(15)5-6-14(13)18-12-4-2-3-11(16)8-12/h2-9,17H,1H3.
What are the key properties of 1-[5-bromo-2-(3-chlorophenoxy)phenyl]ethanol?
1-[5-bromo-2-(3-chlorophenoxy)phenyl]ethanol has a molecular weight of 327.61 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(3-chlorophenoxy)phenyl]ethanol is sourced from PubChem (CID 82970527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).