3-[(4-bromo-2-propan-2-ylphenoxy)methyl]phenol

C16H17BrO2 — CID 113302917

IUPAC3-[(4-bromo-2-propan-2-ylphenoxy)methyl]phenol
SMILESCC(C)c1cc(Br)ccc1OCc1cccc(O)c1
InChIInChI=1S/C16H17BrO2/c1-11(2)15-9-13(17)6-7-16(15)19-10-12-4-3-5-14(18)8-12/h3-9,11,18H,10H2,1-2H3
InChIKeyHYWWFDJEWJAXJR-UHFFFAOYSA-N
MW321.21 g/mol
LogP4.86
Rot. Bonds4

About 3-[(4-bromo-2-propan-2-ylphenoxy)methyl]phenol

3-[(4-bromo-2-propan-2-ylphenoxy)methyl]phenol (PubChem CID 113302917) has the molecular formula C16H17BrO2 and a molecular weight of 321.21 g/mol. Its IUPAC name is 3-[(4-bromo-2-propan-2-ylphenoxy)methyl]phenol.

Molecular Properties

Compound Name3-[(4-bromo-2-propan-2-ylphenoxy)methyl]phenol
PubChem CID113302917
Molecular FormulaC16H17BrO2
Molecular Weight321.21 g/mol
Exact Mass320.04
IUPAC Name3-[(4-bromo-2-propan-2-ylphenoxy)methyl]phenol
SMILESCC(C)c1cc(Br)ccc1OCc1cccc(O)c1
InChIInChI=1S/C16H17BrO2/c1-11(2)15-9-13(17)6-7-16(15)19-10-12-4-3-5-14(18)8-12/h3-9,11,18H,10H2,1-2H3
InChIKeyHYWWFDJEWJAXJR-UHFFFAOYSA-N
XLogP4.86
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 ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-bromo-2-propan-2-ylphenoxy)methyl]benzoic acid
CID 20986266
2-bromo-4-[(4-bromo-2-propan-2-ylphenoxy)methyl]-1-methoxybenzene
CID 115402080
(1R)-1-(5-bromo-2-phenylmethoxyphenyl)ethanol
CID 78932268
(1R)-1-[5-bromo-2-[(3-methoxyphenyl)methoxy]phenyl]ethanol
CID 63365872
(1S)-1-[5-bromo-2-[(3-methoxyphenyl)methoxy]phenyl]ethanol
CID 78932276
4-bromo-1-(2-phenylethoxy)-2-propan-2-ylbenzene
CID 115401938
(1S)-1-(5-bromo-2-phenylmethoxyphenyl)ethanamine
CID 78937030
1-[2-[(3-bromophenyl)methoxy]phenyl]ethanol
CID 43504021
5-[(4-bromo-2-propan-2-ylphenoxy)methyl]pyridin-2-amine
CID 115402628
(1S)-1-[2-[(3-bromophenyl)methoxy]-5-methylphenyl]ethanol
CID 78933642
2-(5-bromo-2-phenylmethoxyphenyl)propane-1,3-diol
CID 156555917
(1S)-1-[2-[(3-bromophenyl)methoxy]-5-chlorophenyl]ethanamine
CID 78932662

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-2-propan-2-ylphenoxy)methyl]phenol?
The IUPAC name of 3-[(4-bromo-2-propan-2-ylphenoxy)methyl]phenol (CID 113302917) is 3-[(4-bromo-2-propan-2-ylphenoxy)methyl]phenol.
What is the SMILES notation for 3-[(4-bromo-2-propan-2-ylphenoxy)methyl]phenol?
The canonical SMILES for 3-[(4-bromo-2-propan-2-ylphenoxy)methyl]phenol is CC(C)c1cc(Br)ccc1OCc1cccc(O)c1.
What is the InChIKey of 3-[(4-bromo-2-propan-2-ylphenoxy)methyl]phenol?
The InChIKey is HYWWFDJEWJAXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrO2/c1-11(2)15-9-13(17)6-7-16(15)19-10-12-4-3-5-14(18)8-12/h3-9,11,18H,10H2,1-2H3.
What are the key properties of 3-[(4-bromo-2-propan-2-ylphenoxy)methyl]phenol?
3-[(4-bromo-2-propan-2-ylphenoxy)methyl]phenol has a molecular weight of 321.21 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromo-2-propan-2-ylphenoxy)methyl]phenol is sourced from PubChem (CID 113302917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).