4-[(4-bromo-3-methylphenyl)methoxy]phenol

C14H13BrO2 — CID 69115875

IUPAC4-[(4-bromo-3-methylphenyl)methoxy]phenol
SMILESCc1cc(COc2ccc(O)cc2)ccc1Br
InChIInChI=1S/C14H13BrO2/c1-10-8-11(2-7-14(10)15)9-17-13-5-3-12(16)4-6-13/h2-8,16H,9H2,1H3
InChIKeyFRZJYEUDYPBQSK-UHFFFAOYSA-N
MW293.16 g/mol
LogP4.04
Rot. Bonds3

About 4-[(4-bromo-3-methylphenyl)methoxy]phenol

4-[(4-bromo-3-methylphenyl)methoxy]phenol (PubChem CID 69115875) has the molecular formula C14H13BrO2 and a molecular weight of 293.16 g/mol. Its IUPAC name is 4-[(4-bromo-3-methylphenyl)methoxy]phenol.

Molecular Properties

Compound Name4-[(4-bromo-3-methylphenyl)methoxy]phenol
PubChem CID69115875
Molecular FormulaC14H13BrO2
Molecular Weight293.16 g/mol
Exact Mass292.01
IUPAC Name4-[(4-bromo-3-methylphenyl)methoxy]phenol
SMILESCc1cc(COc2ccc(O)cc2)ccc1Br
InChIInChI=1S/C14H13BrO2/c1-10-8-11(2-7-14(10)15)9-17-13-5-3-12(16)4-6-13/h2-8,16H,9H2,1H3
InChIKeyFRZJYEUDYPBQSK-UHFFFAOYSA-N
XLogP4.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-4-[(3,4-dimethylphenyl)methoxy]-2-fluorobenzene
CID 65202941
1-bromo-4-[(4-chlorophenyl)methoxy]-2-methylbenzene
CID 83133451
1-bromo-4-[(3,4-dimethoxyphenyl)methoxy]-2-methylbenzene
CID 83134055
2-bromo-4-[(4-methoxyphenoxy)methyl]-1-methylbenzene
CID 117221925
4-[(4-bromo-3-methylphenoxy)methyl]benzamide
CID 81300987
1-bromo-4-[(3,5-difluorophenyl)methoxy]-2-methylbenzene
CID 112694000
4-[(4-fluorophenoxy)methyl]-2-methylphenol
CID 117220443
2-bromo-4-[(4-chlorophenoxy)methyl]-1-methylbenzene
CID 117221919
1-bromo-4-[(3-fluoro-4-methoxyphenyl)methoxy]-2-methylbenzene
CID 83133800
4-[(4-bromo-3-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 83141030
4-[(4-bromo-3-methylphenoxy)methyl]-2-methoxybenzenecarbothioamide
CID 106789213
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-(4-ethylphenoxy)acetohydrazide
CID 3376998

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-3-methylphenyl)methoxy]phenol?
The IUPAC name of 4-[(4-bromo-3-methylphenyl)methoxy]phenol (CID 69115875) is 4-[(4-bromo-3-methylphenyl)methoxy]phenol.
What is the SMILES notation for 4-[(4-bromo-3-methylphenyl)methoxy]phenol?
The canonical SMILES for 4-[(4-bromo-3-methylphenyl)methoxy]phenol is Cc1cc(COc2ccc(O)cc2)ccc1Br.
What is the InChIKey of 4-[(4-bromo-3-methylphenyl)methoxy]phenol?
The InChIKey is FRZJYEUDYPBQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO2/c1-10-8-11(2-7-14(10)15)9-17-13-5-3-12(16)4-6-13/h2-8,16H,9H2,1H3.
What are the key properties of 4-[(4-bromo-3-methylphenyl)methoxy]phenol?
4-[(4-bromo-3-methylphenyl)methoxy]phenol has a molecular weight of 293.16 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-3-methylphenyl)methoxy]phenol is sourced from PubChem (CID 69115875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).