2-[(4-bromophenyl)methoxy]oxane

C12H15BrO2 — CID 598168

IUPAC2-[(4-bromophenyl)methoxy]oxane
SMILESBrc1ccc(COC2CCCCO2)cc1
InChIInChI=1S/C12H15BrO2/c13-11-6-4-10(5-7-11)9-15-12-3-1-2-8-14-12/h4-7,12H,1-3,8-9H2
InChIKeyQQDHNPZEXZGTEL-UHFFFAOYSA-N
MW271.15 g/mol
LogP3.49
Rot. Bonds3

About 2-[(4-bromophenyl)methoxy]oxane

2-[(4-bromophenyl)methoxy]oxane (PubChem CID 598168) has the molecular formula C12H15BrO2 and a molecular weight of 271.15 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methoxy]oxane.

Molecular Properties

Compound Name2-[(4-bromophenyl)methoxy]oxane
PubChem CID598168
Molecular FormulaC12H15BrO2
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name2-[(4-bromophenyl)methoxy]oxane
SMILESBrc1ccc(COC2CCCCO2)cc1
InChIInChI=1S/C12H15BrO2/c13-11-6-4-10(5-7-11)9-15-12-3-1-2-8-14-12/h4-7,12H,1-3,8-9H2
InChIKeyQQDHNPZEXZGTEL-UHFFFAOYSA-N
XLogP3.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Orthobenzoic acid, p-bromo-, cyclic ester with 2-tert-butyl-2-(hydroxymethyl)-1,3-propanediol
CID 175731
2-Phenyl-1,3-dioxane
CID 69874
2-(3-Bromophenyl)-1,3-dioxolane
CID 87306
1-Bromo-3-(dimethoxymethyl)benzene
CID 105395
2-(2-Bromophenyl)-1,3-dioxolane
CID 553534
2-(4-Bromophenyl)-2-methyl-1,3-dioxolane
CID 614920
1-Bromo-4-(dimethoxymethyl)benzene
CID 688342
1-Bromo-2-(diethoxymethyl)benzene
CID 3482778
1-Bromo-2-(dimethoxymethyl)benzene
CID 11148943
4-Bromobenzyl methyl ether
CID 12662296
5,5-Bis(bromomethyl)-2-phenyl-1,3-dioxane
CID 21823070
1,3-Dioxolane, 2-(3-bromo-4-fluorophenyl)-
CID 10977765

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methoxy]oxane?
The IUPAC name of 2-[(4-bromophenyl)methoxy]oxane (CID 598168) is 2-[(4-bromophenyl)methoxy]oxane.
What is the SMILES notation for 2-[(4-bromophenyl)methoxy]oxane?
The canonical SMILES for 2-[(4-bromophenyl)methoxy]oxane is Brc1ccc(COC2CCCCO2)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methoxy]oxane?
The InChIKey is QQDHNPZEXZGTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO2/c13-11-6-4-10(5-7-11)9-15-12-3-1-2-8-14-12/h4-7,12H,1-3,8-9H2.
What are the key properties of 2-[(4-bromophenyl)methoxy]oxane?
2-[(4-bromophenyl)methoxy]oxane has a molecular weight of 271.15 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methoxy]oxane is sourced from PubChem (CID 598168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).