3-[(2-bromo-4-methoxyphenyl)methoxy]phenol

C14H13BrO3 — CID 117221199

IUPAC3-[(2-bromo-4-methoxyphenyl)methoxy]phenol
SMILESCOc1ccc(COc2cccc(O)c2)c(Br)c1
InChIInChI=1S/C14H13BrO3/c1-17-12-6-5-10(14(15)8-12)9-18-13-4-2-3-11(16)7-13/h2-8,16H,9H2,1H3
InChIKeyOIWMNOZXLORTAW-UHFFFAOYSA-N
MW309.16 g/mol
LogP3.74
Rot. Bonds4

About 3-[(2-bromo-4-methoxyphenyl)methoxy]phenol

3-[(2-bromo-4-methoxyphenyl)methoxy]phenol (PubChem CID 117221199) has the molecular formula C14H13BrO3 and a molecular weight of 309.16 g/mol. Its IUPAC name is 3-[(2-bromo-4-methoxyphenyl)methoxy]phenol.

Molecular Properties

Compound Name3-[(2-bromo-4-methoxyphenyl)methoxy]phenol
PubChem CID117221199
Molecular FormulaC14H13BrO3
Molecular Weight309.16 g/mol
Exact Mass308.00
IUPAC Name3-[(2-bromo-4-methoxyphenyl)methoxy]phenol
SMILESCOc1ccc(COc2cccc(O)c2)c(Br)c1
InChIInChI=1S/C14H13BrO3/c1-17-12-6-5-10(14(15)8-12)9-18-13-4-2-3-11(16)7-13/h2-8,16H,9H2,1H3
InChIKeyOIWMNOZXLORTAW-UHFFFAOYSA-N
XLogP3.74
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-bromo-4-[(3-methoxyphenoxy)methyl]phenyl]methyl]ethanamine
CID 102772906
ethane;3-methoxyphenol
CID 142018283
sodium 3-methoxyphenol
CID 19079440
2-[(3-fluorophenoxy)methyl]-5-methoxyphenol
CID 117221189
(1S)-1-[3-[(2-bromo-5-methoxyphenyl)methoxy]phenyl]ethanol
CID 65323262
2-[(3-hydroxyphenoxy)methyl]-5-methylphenol
CID 117221141
5-methoxy-2-[(4-methoxyphenoxy)methyl]phenol
CID 117221300
3-[(2-methoxy-5-methylphenyl)methoxy]phenol
CID 62159960
3-[(2-bromo-5-methoxyphenyl)methoxy]benzenecarbothioamide
CID 65323381
3-chloro-4-[(3-hydroxyphenoxy)methyl]phenol
CID 117219618
[4-methoxy-2-[(3-methoxyphenoxy)methyl]phenyl]boronic acid
CID 65327836
1-bromo-2-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzene
CID 102876842

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-4-methoxyphenyl)methoxy]phenol?
The IUPAC name of 3-[(2-bromo-4-methoxyphenyl)methoxy]phenol (CID 117221199) is 3-[(2-bromo-4-methoxyphenyl)methoxy]phenol.
What is the SMILES notation for 3-[(2-bromo-4-methoxyphenyl)methoxy]phenol?
The canonical SMILES for 3-[(2-bromo-4-methoxyphenyl)methoxy]phenol is COc1ccc(COc2cccc(O)c2)c(Br)c1.
What is the InChIKey of 3-[(2-bromo-4-methoxyphenyl)methoxy]phenol?
The InChIKey is OIWMNOZXLORTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO3/c1-17-12-6-5-10(14(15)8-12)9-18-13-4-2-3-11(16)7-13/h2-8,16H,9H2,1H3.
What are the key properties of 3-[(2-bromo-4-methoxyphenyl)methoxy]phenol?
3-[(2-bromo-4-methoxyphenyl)methoxy]phenol has a molecular weight of 309.16 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromo-4-methoxyphenyl)methoxy]phenol is sourced from PubChem (CID 117221199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).