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

C15H15BrO2 — CID 63217010

IUPAC1-[4-(4-bromo-2-methylphenoxy)phenyl]ethanol
SMILESCc1cc(Br)ccc1Oc1ccc(C(C)O)cc1
InChIInChI=1S/C15H15BrO2/c1-10-9-13(16)5-8-15(10)18-14-6-3-12(4-7-14)11(2)17/h3-9,11,17H,1-2H3
InChIKeyDWGWHHAVWBITII-UHFFFAOYSA-N
MW307.19 g/mol
LogP4.60
Rot. Bonds3

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

1-[4-(4-bromo-2-methylphenoxy)phenyl]ethanol (PubChem CID 63217010) has the molecular formula C15H15BrO2 and a molecular weight of 307.19 g/mol. Its IUPAC name is 1-[4-(4-bromo-2-methylphenoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[4-(4-bromo-2-methylphenoxy)phenyl]ethanol
PubChem CID63217010
Molecular FormulaC15H15BrO2
Molecular Weight307.19 g/mol
Exact Mass306.03
IUPAC Name1-[4-(4-bromo-2-methylphenoxy)phenyl]ethanol
SMILESCc1cc(Br)ccc1Oc1ccc(C(C)O)cc1
InChIInChI=1S/C15H15BrO2/c1-10-9-13(16)5-8-15(10)18-14-6-3-12(4-7-14)11(2)17/h3-9,11,17H,1-2H3
InChIKeyDWGWHHAVWBITII-UHFFFAOYSA-N
XLogP4.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[4-(4-bromo-2-methylphenoxy)phenyl]ethanamine
CID 78938448
(1R)-1-[4-(4-bromophenoxy)-3-chlorophenyl]ethanol
CID 78941541
1-[4-(5-bromo-2,3-difluorophenoxy)phenyl]ethanol
CID 107100098
1-[4-(2-bromophenoxy)phenyl]ethanol
CID 43506278
1-[4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)phenyl]ethanol
CID 43506602
1-[2-(4-bromo-2-methylphenoxy)-5-fluorophenyl]ethanol
CID 63540649
(1S)-1-[4-(2-chloro-4-fluorophenoxy)phenyl]ethanol
CID 63374529
(1S)-1-[4-(5-bromo-2-methylphenoxy)-3-fluorophenyl]ethanol
CID 107284879
(1R)-1-[4-(5-bromo-2-methylphenoxy)-3-fluorophenyl]ethanol
CID 107284914
(1S)-1-(4-methoxy-3-methylphenyl)ethanol
CID 39236071
1-[3-bromo-4-(4-chloro-3-methylphenoxy)phenyl]ethanol
CID 63539732
1-[5-bromo-2-(4-chloro-3-methylphenoxy)phenyl]ethanol
CID 82970379

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-bromo-2-methylphenoxy)phenyl]ethanol?
The IUPAC name of 1-[4-(4-bromo-2-methylphenoxy)phenyl]ethanol (CID 63217010) is 1-[4-(4-bromo-2-methylphenoxy)phenyl]ethanol.
What is the SMILES notation for 1-[4-(4-bromo-2-methylphenoxy)phenyl]ethanol?
The canonical SMILES for 1-[4-(4-bromo-2-methylphenoxy)phenyl]ethanol is Cc1cc(Br)ccc1Oc1ccc(C(C)O)cc1.
What is the InChIKey of 1-[4-(4-bromo-2-methylphenoxy)phenyl]ethanol?
The InChIKey is DWGWHHAVWBITII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO2/c1-10-9-13(16)5-8-15(10)18-14-6-3-12(4-7-14)11(2)17/h3-9,11,17H,1-2H3.
What are the key properties of 1-[4-(4-bromo-2-methylphenoxy)phenyl]ethanol?
1-[4-(4-bromo-2-methylphenoxy)phenyl]ethanol has a molecular weight of 307.19 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-bromo-2-methylphenoxy)phenyl]ethanol is sourced from PubChem (CID 63217010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).