1-[4-bromo-2-[(4-methylphenyl)methoxy]phenyl]ethanol

C16H17BrO2 — CID 102948306

IUPAC1-[4-bromo-2-[(4-methylphenyl)methoxy]phenyl]ethanol
SMILESCc1ccc(COc2cc(Br)ccc2C(C)O)cc1
InChIInChI=1S/C16H17BrO2/c1-11-3-5-13(6-4-11)10-19-16-9-14(17)7-8-15(16)12(2)18/h3-9,12,18H,10H2,1-2H3
InChIKeyZDRUNLLJUHVFBN-UHFFFAOYSA-N
MW321.21 g/mol
LogP4.39
Rot. Bonds4

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

1-[4-bromo-2-[(4-methylphenyl)methoxy]phenyl]ethanol (PubChem CID 102948306) has the molecular formula C16H17BrO2 and a molecular weight of 321.21 g/mol. Its IUPAC name is 1-[4-bromo-2-[(4-methylphenyl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name1-[4-bromo-2-[(4-methylphenyl)methoxy]phenyl]ethanol
PubChem CID102948306
Molecular FormulaC16H17BrO2
Molecular Weight321.21 g/mol
Exact Mass320.04
IUPAC Name1-[4-bromo-2-[(4-methylphenyl)methoxy]phenyl]ethanol
SMILESCc1ccc(COc2cc(Br)ccc2C(C)O)cc1
InChIInChI=1S/C16H17BrO2/c1-11-3-5-13(6-4-11)10-19-16-9-14(17)7-8-15(16)12(2)18/h3-9,12,18H,10H2,1-2H3
InChIKeyZDRUNLLJUHVFBN-UHFFFAOYSA-N
XLogP4.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[4-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]ethanol
CID 102948817
1-[4-bromo-2-(pyridin-4-ylmethoxy)phenyl]ethanol
CID 102948400
4-[[5-bromo-2-[(1R)-1-hydroxyethyl]phenoxy]methyl]benzonitrile
CID 102948608
(1S)-1-[4-fluoro-2-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 78932617
(1S)-1-[4-bromo-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanol
CID 102949293
1-[2-[(3-bromophenyl)methoxy]-4-methylphenyl]ethanol
CID 63651626
(1R)-1-(4-bromo-2-ethoxyphenyl)ethanol
CID 102948595
1-[2-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 43504033
(1R)-1-[2-[(5-bromo-2-methoxyphenyl)methoxy]-4-methylphenyl]ethanol
CID 63650441
(1R)-1-[4-bromo-2-(phenylmethoxymethoxy)phenyl]ethanol
CID 102948849
(1R)-1-[4-bromo-2-[(4-bromo-2-chlorophenyl)methoxy]phenyl]ethanol
CID 102948801
3-[[5-bromo-2-(1-hydroxyethyl)phenoxy]methyl]benzonitrile
CID 102948224

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-[(4-methylphenyl)methoxy]phenyl]ethanol?
The IUPAC name of 1-[4-bromo-2-[(4-methylphenyl)methoxy]phenyl]ethanol (CID 102948306) is 1-[4-bromo-2-[(4-methylphenyl)methoxy]phenyl]ethanol.
What is the SMILES notation for 1-[4-bromo-2-[(4-methylphenyl)methoxy]phenyl]ethanol?
The canonical SMILES for 1-[4-bromo-2-[(4-methylphenyl)methoxy]phenyl]ethanol is Cc1ccc(COc2cc(Br)ccc2C(C)O)cc1.
What is the InChIKey of 1-[4-bromo-2-[(4-methylphenyl)methoxy]phenyl]ethanol?
The InChIKey is ZDRUNLLJUHVFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrO2/c1-11-3-5-13(6-4-11)10-19-16-9-14(17)7-8-15(16)12(2)18/h3-9,12,18H,10H2,1-2H3.
What are the key properties of 1-[4-bromo-2-[(4-methylphenyl)methoxy]phenyl]ethanol?
1-[4-bromo-2-[(4-methylphenyl)methoxy]phenyl]ethanol has a molecular weight of 321.21 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-[(4-methylphenyl)methoxy]phenyl]ethanol is sourced from PubChem (CID 102948306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).