1-[5-bromo-2-(2,5-dimethylphenoxy)phenyl]ethanol

C16H17BrO2 — CID 82970526

IUPAC1-[5-bromo-2-(2,5-dimethylphenoxy)phenyl]ethanol
SMILESCc1ccc(C)c(Oc2ccc(Br)cc2C(C)O)c1
InChIInChI=1S/C16H17BrO2/c1-10-4-5-11(2)16(8-10)19-15-7-6-13(17)9-14(15)12(3)18/h4-9,12,18H,1-3H3
InChIKeyHAUJOJOFBRLMMY-UHFFFAOYSA-N
MW321.21 g/mol
LogP4.91
Rot. Bonds3

About 1-[5-bromo-2-(2,5-dimethylphenoxy)phenyl]ethanol

1-[5-bromo-2-(2,5-dimethylphenoxy)phenyl]ethanol (PubChem CID 82970526) has the molecular formula C16H17BrO2 and a molecular weight of 321.21 g/mol. Its IUPAC name is 1-[5-bromo-2-(2,5-dimethylphenoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[5-bromo-2-(2,5-dimethylphenoxy)phenyl]ethanol
PubChem CID82970526
Molecular FormulaC16H17BrO2
Molecular Weight321.21 g/mol
Exact Mass320.04
IUPAC Name1-[5-bromo-2-(2,5-dimethylphenoxy)phenyl]ethanol
SMILESCc1ccc(C)c(Oc2ccc(Br)cc2C(C)O)c1
InChIInChI=1S/C16H17BrO2/c1-10-4-5-11(2)16(8-10)19-15-7-6-13(17)9-14(15)12(3)18/h4-9,12,18H,1-3H3
InChIKeyHAUJOJOFBRLMMY-UHFFFAOYSA-N
XLogP4.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[5-bromo-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanol
CID 78944614
1-[5-bromo-2-(5-bromo-2-chlorophenoxy)phenyl]ethanol
CID 82970318
1-[2-(4-bromo-2-methylphenoxy)-5-fluorophenyl]ethanol
CID 63540649
1-[5-bromo-2-(2-chloro-4-fluorophenoxy)phenyl]ethanol
CID 82970752
1-[5-bromo-2-(4-chloro-3-methylphenoxy)phenyl]ethanol
CID 82970379
(1R)-1-[2-(2-chloro-4-methylphenoxy)-5-fluorophenyl]ethanol
CID 63374690
1-[5-bromo-2-(2,5-dichlorophenoxy)phenyl]ethanol
CID 82970963
1-[5-bromo-2-(2,4-dimethylphenoxy)phenyl]-N-methylethanamine
CID 82975637
(1R)-1-[3-chloro-4-(2,5-dimethylphenoxy)phenyl]ethanol
CID 78941592
(1S)-1-[4-(5-bromo-2-methylphenoxy)-3-fluorophenyl]ethanol
CID 107284879
(1R)-1-[4-(5-bromo-2-methylphenoxy)-3-fluorophenyl]ethanol
CID 107284914
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-(2,5-dimethylphenoxy)phenyl]ethanol?
The IUPAC name of 1-[5-bromo-2-(2,5-dimethylphenoxy)phenyl]ethanol (CID 82970526) is 1-[5-bromo-2-(2,5-dimethylphenoxy)phenyl]ethanol.
What is the SMILES notation for 1-[5-bromo-2-(2,5-dimethylphenoxy)phenyl]ethanol?
The canonical SMILES for 1-[5-bromo-2-(2,5-dimethylphenoxy)phenyl]ethanol is Cc1ccc(C)c(Oc2ccc(Br)cc2C(C)O)c1.
What is the InChIKey of 1-[5-bromo-2-(2,5-dimethylphenoxy)phenyl]ethanol?
The InChIKey is HAUJOJOFBRLMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrO2/c1-10-4-5-11(2)16(8-10)19-15-7-6-13(17)9-14(15)12(3)18/h4-9,12,18H,1-3H3.
What are the key properties of 1-[5-bromo-2-(2,5-dimethylphenoxy)phenyl]ethanol?
1-[5-bromo-2-(2,5-dimethylphenoxy)phenyl]ethanol has a molecular weight of 321.21 g/mol, XLogP of 4.91, 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-(2,5-dimethylphenoxy)phenyl]ethanol is sourced from PubChem (CID 82970526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).