[4-[(4-bromo-3,5-dimethylphenoxy)methyl]phenyl]methanol

C16H17BrO2 — CID 107723971

IUPAC[4-[(4-bromo-3,5-dimethylphenoxy)methyl]phenyl]methanol
SMILESCc1cc(OCc2ccc(CO)cc2)cc(C)c1Br
InChIInChI=1S/C16H17BrO2/c1-11-7-15(8-12(2)16(11)17)19-10-14-5-3-13(9-18)4-6-14/h3-8,18H,9-10H2,1-2H3
InChIKeyWGWFWGBZIXKRCA-UHFFFAOYSA-N
MW321.21 g/mol
LogP4.14
Rot. Bonds4

About [4-[(4-bromo-3,5-dimethylphenoxy)methyl]phenyl]methanol

[4-[(4-bromo-3,5-dimethylphenoxy)methyl]phenyl]methanol (PubChem CID 107723971) has the molecular formula C16H17BrO2 and a molecular weight of 321.21 g/mol. Its IUPAC name is [4-[(4-bromo-3,5-dimethylphenoxy)methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(4-bromo-3,5-dimethylphenoxy)methyl]phenyl]methanol
PubChem CID107723971
Molecular FormulaC16H17BrO2
Molecular Weight321.21 g/mol
Exact Mass320.04
IUPAC Name[4-[(4-bromo-3,5-dimethylphenoxy)methyl]phenyl]methanol
SMILESCc1cc(OCc2ccc(CO)cc2)cc(C)c1Br
InChIInChI=1S/C16H17BrO2/c1-11-7-15(8-12(2)16(11)17)19-10-14-5-3-13(9-18)4-6-14/h3-8,18H,9-10H2,1-2H3
InChIKeyWGWFWGBZIXKRCA-UHFFFAOYSA-N
XLogP4.14
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 ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(4-bromo-3,5-dimethylphenoxy)methyl]-2-chloroaniline
CID 107722857
[4-[[4-(bromomethyl)phenyl]methoxy]phenyl]methanol
CID 86004724
5-[(4-bromo-3,5-dimethylphenoxy)methyl]-N-ethylpyridin-2-amine
CID 107725734
2-bromo-5-[(2-bromophenyl)methoxy]-1,3-dimethylbenzene
CID 107723747
[4-[(3-bromo-5-nitrophenoxy)methyl]phenyl]methanol
CID 103589250
6-(4-bromo-3,5-dimethylphenoxy)hexan-1-ol
CID 107723451
2-[2-[(4-bromo-3,5-dimethylphenoxy)methyl]phenyl]acetic acid
CID 107722369
[3-[(4-bromo-3,5-dimethylphenoxy)methyl]-5-fluorophenyl]methanamine
CID 107722883
4-[(4-bromo-3,5-dimethylphenoxy)methyl]-N-ethylpyridin-2-amine
CID 107725685
1-bromo-3-fluoro-5-phenylmethoxybenzene;phenylmethanol
CID 70121150
2-bromo-5-[(2-chlorophenyl)methoxy]-1,3-dimethylbenzene
CID 107723647
1-bromo-4-[(4-chlorophenyl)methoxy]-2-methylbenzene
CID 83133451

Frequently Asked Questions

What is the IUPAC name of [4-[(4-bromo-3,5-dimethylphenoxy)methyl]phenyl]methanol?
The IUPAC name of [4-[(4-bromo-3,5-dimethylphenoxy)methyl]phenyl]methanol (CID 107723971) is [4-[(4-bromo-3,5-dimethylphenoxy)methyl]phenyl]methanol.
What is the SMILES notation for [4-[(4-bromo-3,5-dimethylphenoxy)methyl]phenyl]methanol?
The canonical SMILES for [4-[(4-bromo-3,5-dimethylphenoxy)methyl]phenyl]methanol is Cc1cc(OCc2ccc(CO)cc2)cc(C)c1Br.
What is the InChIKey of [4-[(4-bromo-3,5-dimethylphenoxy)methyl]phenyl]methanol?
The InChIKey is WGWFWGBZIXKRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrO2/c1-11-7-15(8-12(2)16(11)17)19-10-14-5-3-13(9-18)4-6-14/h3-8,18H,9-10H2,1-2H3.
What are the key properties of [4-[(4-bromo-3,5-dimethylphenoxy)methyl]phenyl]methanol?
[4-[(4-bromo-3,5-dimethylphenoxy)methyl]phenyl]methanol has a molecular weight of 321.21 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-bromo-3,5-dimethylphenoxy)methyl]phenyl]methanol is sourced from PubChem (CID 107723971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).