1-[5-bromo-2-(4-chloro-3-methylphenoxy)phenyl]ethanol

C15H14BrClO2 — CID 82970379

IUPAC1-[5-bromo-2-(4-chloro-3-methylphenoxy)phenyl]ethanol
SMILESCc1cc(Oc2ccc(Br)cc2C(C)O)ccc1Cl
InChIInChI=1S/C15H14BrClO2/c1-9-7-12(4-5-14(9)17)19-15-6-3-11(16)8-13(15)10(2)18/h3-8,10,18H,1-2H3
InChIKeySXOLYAVFCBWDFI-UHFFFAOYSA-N
MW341.63 g/mol
LogP5.26
Rot. Bonds3

About 1-[5-bromo-2-(4-chloro-3-methylphenoxy)phenyl]ethanol

1-[5-bromo-2-(4-chloro-3-methylphenoxy)phenyl]ethanol (PubChem CID 82970379) has the molecular formula C15H14BrClO2 and a molecular weight of 341.63 g/mol. Its IUPAC name is 1-[5-bromo-2-(4-chloro-3-methylphenoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[5-bromo-2-(4-chloro-3-methylphenoxy)phenyl]ethanol
PubChem CID82970379
Molecular FormulaC15H14BrClO2
Molecular Weight341.63 g/mol
Exact Mass339.99
IUPAC Name1-[5-bromo-2-(4-chloro-3-methylphenoxy)phenyl]ethanol
SMILESCc1cc(Oc2ccc(Br)cc2C(C)O)ccc1Cl
InChIInChI=1S/C15H14BrClO2/c1-9-7-12(4-5-14(9)17)19-15-6-3-11(16)8-13(15)10(2)18/h3-8,10,18H,1-2H3
InChIKeySXOLYAVFCBWDFI-UHFFFAOYSA-N
XLogP5.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.63
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-bromo-2-(5-bromo-2-chlorophenoxy)phenyl]ethanol
CID 82970318
1-[5-bromo-2-(3-chlorophenoxy)phenyl]ethanol
CID 82970527
1-[3-bromo-4-(4-chloro-3-methylphenoxy)phenyl]ethanol
CID 63539732
1-[5-bromo-2-(2,5-dichlorophenoxy)phenyl]ethanol
CID 82970963
1-[5-bromo-2-(4-tert-butylphenoxy)phenyl]ethanol
CID 82957796
1-[5-bromo-2-(4-chloro-3-methylphenoxy)phenyl]ethanone
CID 82972295
4-[4-bromo-2-(1-hydroxyethyl)phenoxy]benzonitrile
CID 82970383
1-[4-bromo-2-(4-chloro-3-fluorophenoxy)phenyl]ethanol
CID 82971254
1-[5-bromo-2-(2-chloro-4-fluorophenoxy)phenyl]ethanol
CID 82970752
1-[5-bromo-2-(2,5-dimethylphenoxy)phenyl]ethanol
CID 82970526
(1S)-1-[2-(5-bromo-2-chlorophenoxy)-5-fluorophenyl]ethanol
CID 78955958
(1S)-1-[2-(4-bromo-3-methylphenoxy)-5-fluorophenyl]ethanol
CID 83141129

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(4-chloro-3-methylphenoxy)phenyl]ethanol?
The IUPAC name of 1-[5-bromo-2-(4-chloro-3-methylphenoxy)phenyl]ethanol (CID 82970379) is 1-[5-bromo-2-(4-chloro-3-methylphenoxy)phenyl]ethanol.
What is the SMILES notation for 1-[5-bromo-2-(4-chloro-3-methylphenoxy)phenyl]ethanol?
The canonical SMILES for 1-[5-bromo-2-(4-chloro-3-methylphenoxy)phenyl]ethanol is Cc1cc(Oc2ccc(Br)cc2C(C)O)ccc1Cl.
What is the InChIKey of 1-[5-bromo-2-(4-chloro-3-methylphenoxy)phenyl]ethanol?
The InChIKey is SXOLYAVFCBWDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClO2/c1-9-7-12(4-5-14(9)17)19-15-6-3-11(16)8-13(15)10(2)18/h3-8,10,18H,1-2H3.
What are the key properties of 1-[5-bromo-2-(4-chloro-3-methylphenoxy)phenyl]ethanol?
1-[5-bromo-2-(4-chloro-3-methylphenoxy)phenyl]ethanol has a molecular weight of 341.63 g/mol, XLogP of 5.26, 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-(4-chloro-3-methylphenoxy)phenyl]ethanol is sourced from PubChem (CID 82970379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).