2-[(4-bromophenoxy)methyl]-5-methylphenol

C14H13BrO2 — CID 117221239

IUPAC2-[(4-bromophenoxy)methyl]-5-methylphenol
SMILESCc1ccc(COc2ccc(Br)cc2)c(O)c1
InChIInChI=1S/C14H13BrO2/c1-10-2-3-11(14(16)8-10)9-17-13-6-4-12(15)5-7-13/h2-8,16H,9H2,1H3
InChIKeyUFSINJLDFWACHV-UHFFFAOYSA-N
MW293.16 g/mol
LogP4.04
Rot. Bonds3

About 2-[(4-bromophenoxy)methyl]-5-methylphenol

2-[(4-bromophenoxy)methyl]-5-methylphenol (PubChem CID 117221239) has the molecular formula C14H13BrO2 and a molecular weight of 293.16 g/mol. Its IUPAC name is 2-[(4-bromophenoxy)methyl]-5-methylphenol.

Molecular Properties

Compound Name2-[(4-bromophenoxy)methyl]-5-methylphenol
PubChem CID117221239
Molecular FormulaC14H13BrO2
Molecular Weight293.16 g/mol
Exact Mass292.01
IUPAC Name2-[(4-bromophenoxy)methyl]-5-methylphenol
SMILESCc1ccc(COc2ccc(Br)cc2)c(O)c1
InChIInChI=1S/C14H13BrO2/c1-10-2-3-11(14(16)8-10)9-17-13-6-4-12(15)5-7-13/h2-8,16H,9H2,1H3
InChIKeyUFSINJLDFWACHV-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

5-methoxy-2-[(4-methylphenoxy)methyl]phenol
CID 117221283
5-methyl-2-[(3-methylphenoxy)methyl]phenol
CID 117221129
2-[(3-hydroxyphenoxy)methyl]-5-methylphenol
CID 117221141
2-[(2-bromophenoxy)methyl]-5-methylphenol
CID 117221024
5-methoxy-2-[(4-methoxyphenoxy)methyl]phenol
CID 117221300
2-[(4-methylphenoxy)methyl]-5-(trifluoromethyl)phenol
CID 117221211
2-(hydroperoxymethyl)-5-methylphenol
CID 21351355
4-[(2,4-dimethylphenyl)methoxy]aniline
CID 12822803
1-[(4-bromophenoxy)methyl]-2,4-difluorobenzene
CID 63531797
1-[(4-bromophenoxy)methyl]-4-chloro-2-fluorobenzene
CID 97046774
4-[(4-bromophenoxy)methyl]-3-methylbenzonitrile
CID 114481475
4-[(4-bromophenoxy)methyl]-3-methoxyaniline
CID 114112246

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenoxy)methyl]-5-methylphenol?
The IUPAC name of 2-[(4-bromophenoxy)methyl]-5-methylphenol (CID 117221239) is 2-[(4-bromophenoxy)methyl]-5-methylphenol.
What is the SMILES notation for 2-[(4-bromophenoxy)methyl]-5-methylphenol?
The canonical SMILES for 2-[(4-bromophenoxy)methyl]-5-methylphenol is Cc1ccc(COc2ccc(Br)cc2)c(O)c1.
What is the InChIKey of 2-[(4-bromophenoxy)methyl]-5-methylphenol?
The InChIKey is UFSINJLDFWACHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO2/c1-10-2-3-11(14(16)8-10)9-17-13-6-4-12(15)5-7-13/h2-8,16H,9H2,1H3.
What are the key properties of 2-[(4-bromophenoxy)methyl]-5-methylphenol?
2-[(4-bromophenoxy)methyl]-5-methylphenol 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 2-[(4-bromophenoxy)methyl]-5-methylphenol is sourced from PubChem (CID 117221239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).