5-[(3-bromophenoxy)methyl]-2-methylphenol

C14H13BrO2 — CID 117221825

IUPAC5-[(3-bromophenoxy)methyl]-2-methylphenol
SMILESCc1ccc(COc2cccc(Br)c2)cc1O
InChIInChI=1S/C14H13BrO2/c1-10-5-6-11(7-14(10)16)9-17-13-4-2-3-12(15)8-13/h2-8,16H,9H2,1H3
InChIKeyGVWOYZLSPFJVOF-UHFFFAOYSA-N
MW293.16 g/mol
LogP4.04
Rot. Bonds3

About 5-[(3-bromophenoxy)methyl]-2-methylphenol

5-[(3-bromophenoxy)methyl]-2-methylphenol (PubChem CID 117221825) has the molecular formula C14H13BrO2 and a molecular weight of 293.16 g/mol. Its IUPAC name is 5-[(3-bromophenoxy)methyl]-2-methylphenol.

Molecular Properties

Compound Name5-[(3-bromophenoxy)methyl]-2-methylphenol
PubChem CID117221825
Molecular FormulaC14H13BrO2
Molecular Weight293.16 g/mol
Exact Mass292.01
IUPAC Name5-[(3-bromophenoxy)methyl]-2-methylphenol
SMILESCc1ccc(COc2cccc(Br)c2)cc1O
InChIInChI=1S/C14H13BrO2/c1-10-5-6-11(7-14(10)16)9-17-13-4-2-3-12(15)8-13/h2-8,16H,9H2,1H3
InChIKeyGVWOYZLSPFJVOF-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

2-methyl-5-[(3-methylphenoxy)methyl]phenol
CID 117221818
5-[(4-fluorophenoxy)methyl]-2-methylphenol
CID 117221915
4-[(3-methylphenoxy)methyl]benzene-1,2-diol
CID 117220373
4-[(3-bromophenyl)methoxy]-2-fluoro-1-methylbenzene
CID 107170182
2-bromo-1-methyl-4-[(3-methylphenoxy)methyl]benzene
CID 117221819
2-methyl-5-(3-phenylmethoxyphenyl)phenol
CID 53219180
1-bromo-3-[(3-ethylphenoxy)methyl]benzene
CID 60645294
4-[(3-bromophenoxy)methyl]-2-fluoro-1-methoxybenzene
CID 43089834
N-[[4-[(3-bromophenoxy)methyl]phenyl]methyl]propan-2-amine
CID 63498401
1-[4-[(3-bromophenyl)methoxy]phenyl]propan-2-ol
CID 115495740
3-[2-(3-bromophenoxy)ethoxy]phenol
CID 39445112
5-[(3-bromophenoxy)methyl]pyridin-2-amine
CID 62193709

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromophenoxy)methyl]-2-methylphenol?
The IUPAC name of 5-[(3-bromophenoxy)methyl]-2-methylphenol (CID 117221825) is 5-[(3-bromophenoxy)methyl]-2-methylphenol.
What is the SMILES notation for 5-[(3-bromophenoxy)methyl]-2-methylphenol?
The canonical SMILES for 5-[(3-bromophenoxy)methyl]-2-methylphenol is Cc1ccc(COc2cccc(Br)c2)cc1O.
What is the InChIKey of 5-[(3-bromophenoxy)methyl]-2-methylphenol?
The InChIKey is GVWOYZLSPFJVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO2/c1-10-5-6-11(7-14(10)16)9-17-13-4-2-3-12(15)8-13/h2-8,16H,9H2,1H3.
What are the key properties of 5-[(3-bromophenoxy)methyl]-2-methylphenol?
5-[(3-bromophenoxy)methyl]-2-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 5-[(3-bromophenoxy)methyl]-2-methylphenol is sourced from PubChem (CID 117221825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).