4-(3-bromophenyl)-4-methoxyoxane

C12H15BrO2 — CID 18996138

IUPAC4-(3-bromophenyl)-4-methoxyoxane
SMILESCOC1(c2cccc(Br)c2)CCOCC1
InChIInChI=1S/C12H15BrO2/c1-14-12(5-7-15-8-6-12)10-3-2-4-11(13)9-10/h2-4,9H,5-8H2,1H3
InChIKeyDSBVUPWJEBFYJS-UHFFFAOYSA-N
MW271.15 g/mol
LogP3.10
Rot. Bonds2

About 4-(3-bromophenyl)-4-methoxyoxane

4-(3-bromophenyl)-4-methoxyoxane (PubChem CID 18996138) has the molecular formula C12H15BrO2 and a molecular weight of 271.15 g/mol. Its IUPAC name is 4-(3-bromophenyl)-4-methoxyoxane.

Molecular Properties

Compound Name4-(3-bromophenyl)-4-methoxyoxane
PubChem CID18996138
Molecular FormulaC12H15BrO2
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name4-(3-bromophenyl)-4-methoxyoxane
SMILESCOC1(c2cccc(Br)c2)CCOCC1
InChIInChI=1S/C12H15BrO2/c1-14-12(5-7-15-8-6-12)10-3-2-4-11(13)9-10/h2-4,9H,5-8H2,1H3
InChIKeyDSBVUPWJEBFYJS-UHFFFAOYSA-N
XLogP3.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Bromo-3-(dimethoxymethyl)benzene
CID 105395
2-(3-Bromophenyl)oxirane
CID 147193
1-Bromo-4-(1-methoxyethyl)benzene
CID 10965890
4-Bromobenzyl methyl ether
CID 12662296
1-Bromo-2-(methoxymethyl)benzene
CID 12927162
1-Bromo-3-(methoxymethyl)benzene
CID 13219582
2-(4-Bromophenyl)-2-methyloxirane
CID 150702
2-Bromo-5-fluorobenzyl alcohol, tert.-butyl ether
CID 91730098
1,1'-Biphenyl, 3-bromo-4'-(ethoxymethyl)-
CID 3066125
1-Bromo-4-(ethoxymethyl)benzene
CID 598187
1-Bromo-3-(diethoxymethyl)benzene
CID 2733543
1-Bromo-4-((propan-2-yloxy)methyl)benzene
CID 21876945

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-4-methoxyoxane?
The IUPAC name of 4-(3-bromophenyl)-4-methoxyoxane (CID 18996138) is 4-(3-bromophenyl)-4-methoxyoxane.
What is the SMILES notation for 4-(3-bromophenyl)-4-methoxyoxane?
The canonical SMILES for 4-(3-bromophenyl)-4-methoxyoxane is COC1(c2cccc(Br)c2)CCOCC1.
What is the InChIKey of 4-(3-bromophenyl)-4-methoxyoxane?
The InChIKey is DSBVUPWJEBFYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO2/c1-14-12(5-7-15-8-6-12)10-3-2-4-11(13)9-10/h2-4,9H,5-8H2,1H3.
What are the key properties of 4-(3-bromophenyl)-4-methoxyoxane?
4-(3-bromophenyl)-4-methoxyoxane has a molecular weight of 271.15 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-4-methoxyoxane is sourced from PubChem (CID 18996138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).