1-(bromomethyl)-4-(2-methoxyphenoxy)benzene

C14H13BrO2 — CID 107087191

IUPAC1-(bromomethyl)-4-(2-methoxyphenoxy)benzene
SMILESCOc1ccccc1Oc1ccc(CBr)cc1
InChIInChI=1S/C14H13BrO2/c1-16-13-4-2-3-5-14(13)17-12-8-6-11(10-15)7-9-12/h2-9H,10H2,1H3
InChIKeyYHZIIIRBEOFOQU-UHFFFAOYSA-N
MW293.16 g/mol
LogP4.38
Rot. Bonds4

About 1-(bromomethyl)-4-(2-methoxyphenoxy)benzene

1-(bromomethyl)-4-(2-methoxyphenoxy)benzene (PubChem CID 107087191) has the molecular formula C14H13BrO2 and a molecular weight of 293.16 g/mol. Its IUPAC name is 1-(bromomethyl)-4-(2-methoxyphenoxy)benzene.

Molecular Properties

Compound Name1-(bromomethyl)-4-(2-methoxyphenoxy)benzene
PubChem CID107087191
Molecular FormulaC14H13BrO2
Molecular Weight293.16 g/mol
Exact Mass292.01
IUPAC Name1-(bromomethyl)-4-(2-methoxyphenoxy)benzene
SMILESCOc1ccccc1Oc1ccc(CBr)cc1
InChIInChI=1S/C14H13BrO2/c1-16-13-4-2-3-5-14(13)17-12-8-6-11(10-15)7-9-12/h2-9H,10H2,1H3
InChIKeyYHZIIIRBEOFOQU-UHFFFAOYSA-N
XLogP4.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-(bromomethyl)-4-(2-methoxyphenoxy)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(2-methoxyphenoxy)phenyl]methanol
CID 28946116
2-[4-(2-methoxyphenoxy)phenyl]ethanamine
CID 20986924
bromomethylbenzene;1-(bromomethyl)-4-methoxybenzene
CID 70390972
4-(bromomethyl)-2-fluoro-1-(2-methoxyphenoxy)benzene
CID 107087181
1-methoxy-2-[4-(trifluoromethyl)phenoxy]benzene
CID 76546119
1,3-dimethoxy-5-(2-methoxyphenoxy)benzene
CID 14020528
1,2-bis[4-(chloromethyl)phenoxy]benzene
CID 54463677
N-[4-(2-methoxyphenoxy)phenyl]-2-(4-methoxyphenyl)acetamide
CID 27901681
1-[[4-(bromomethyl)phenoxy]methyl]-2-fluoro-3-methoxybenzene
CID 104792542
4-(bromomethyl)-2-fluoro-1-(4-methoxyphenoxy)benzene
CID 107087234
1-[[4-(2-methoxyphenoxy)phenyl]methyl]-2,3-dimethylguanidine
CID 86777560
1,1-diethyl-2-[[4-(2-methoxyphenoxy)phenyl]methyl]guanidine
CID 111808570

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-4-(2-methoxyphenoxy)benzene?
The IUPAC name of 1-(bromomethyl)-4-(2-methoxyphenoxy)benzene (CID 107087191) is 1-(bromomethyl)-4-(2-methoxyphenoxy)benzene.
What is the SMILES notation for 1-(bromomethyl)-4-(2-methoxyphenoxy)benzene?
The canonical SMILES for 1-(bromomethyl)-4-(2-methoxyphenoxy)benzene is COc1ccccc1Oc1ccc(CBr)cc1.
What is the InChIKey of 1-(bromomethyl)-4-(2-methoxyphenoxy)benzene?
The InChIKey is YHZIIIRBEOFOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO2/c1-16-13-4-2-3-5-14(13)17-12-8-6-11(10-15)7-9-12/h2-9H,10H2,1H3.
What are the key properties of 1-(bromomethyl)-4-(2-methoxyphenoxy)benzene?
1-(bromomethyl)-4-(2-methoxyphenoxy)benzene has a molecular weight of 293.16 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-4-(2-methoxyphenoxy)benzene is sourced from PubChem (CID 107087191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).