1-(bromomethyl)-4-(4-ethoxyphenoxy)benzene

C15H15BrO2 — CID 107086638

IUPAC1-(bromomethyl)-4-(4-ethoxyphenoxy)benzene
SMILESCCOc1ccc(Oc2ccc(CBr)cc2)cc1
InChIInChI=1S/C15H15BrO2/c1-2-17-13-7-9-15(10-8-13)18-14-5-3-12(11-16)4-6-14/h3-10H,2,11H2,1H3
InChIKeyUACFWZOYEUNPID-UHFFFAOYSA-N
MW307.19 g/mol
LogP4.77
Rot. Bonds5

About 1-(bromomethyl)-4-(4-ethoxyphenoxy)benzene

1-(bromomethyl)-4-(4-ethoxyphenoxy)benzene (PubChem CID 107086638) has the molecular formula C15H15BrO2 and a molecular weight of 307.19 g/mol. Its IUPAC name is 1-(bromomethyl)-4-(4-ethoxyphenoxy)benzene.

Molecular Properties

Compound Name1-(bromomethyl)-4-(4-ethoxyphenoxy)benzene
PubChem CID107086638
Molecular FormulaC15H15BrO2
Molecular Weight307.19 g/mol
Exact Mass306.03
IUPAC Name1-(bromomethyl)-4-(4-ethoxyphenoxy)benzene
SMILESCCOc1ccc(Oc2ccc(CBr)cc2)cc1
InChIInChI=1S/C15H15BrO2/c1-2-17-13-7-9-15(10-8-13)18-14-5-3-12(11-16)4-6-14/h3-10H,2,11H2,1H3
InChIKeyUACFWZOYEUNPID-UHFFFAOYSA-N
XLogP4.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(bromomethyl)-4-(4-propoxyphenoxy)benzene
CID 107087461
1-(bromomethyl)-4-(2-ethylbutoxy)benzene
CID 82929266
N-(bromomethyl)-1-(4-ethoxyphenyl)methanamine
CID 115261867
2-bromo-1-[4-(4-ethoxyphenoxy)phenyl]ethanone
CID 141476338
1-[4-(4-ethoxyphenoxy)phenyl]butan-2-amine
CID 63816977
1-ethoxy-4-[(4-ethoxyphenyl)methoxymethyl]benzene
CID 123874930
1-(3-bromo-2-methylpropyl)-4-ethoxybenzene
CID 64671005
1-(bromomethyl)-4-[2-[2-[2-[4-(bromomethyl)phenoxy]ethoxy]ethoxy]ethoxy]benzene
CID 59116280
1-(2-bromopropyl)-4-ethoxybenzene
CID 82254885
1-(bromomethyl)-4-(4-methoxybutoxy)benzene
CID 102137908
1-(bromomethyl)-4-[(4-methylphenyl)methoxy]benzene
CID 22983698
ethane;1-ethoxy-4-fluorobenzene
CID 143106824

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-4-(4-ethoxyphenoxy)benzene?
The IUPAC name of 1-(bromomethyl)-4-(4-ethoxyphenoxy)benzene (CID 107086638) is 1-(bromomethyl)-4-(4-ethoxyphenoxy)benzene.
What is the SMILES notation for 1-(bromomethyl)-4-(4-ethoxyphenoxy)benzene?
The canonical SMILES for 1-(bromomethyl)-4-(4-ethoxyphenoxy)benzene is CCOc1ccc(Oc2ccc(CBr)cc2)cc1.
What is the InChIKey of 1-(bromomethyl)-4-(4-ethoxyphenoxy)benzene?
The InChIKey is UACFWZOYEUNPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO2/c1-2-17-13-7-9-15(10-8-13)18-14-5-3-12(11-16)4-6-14/h3-10H,2,11H2,1H3.
What are the key properties of 1-(bromomethyl)-4-(4-ethoxyphenoxy)benzene?
1-(bromomethyl)-4-(4-ethoxyphenoxy)benzene has a molecular weight of 307.19 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-4-(4-ethoxyphenoxy)benzene is sourced from PubChem (CID 107086638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).