2-[bromo-[4-(2-methoxyethyl)phenyl]methyl]oxolane

C14H19BrO2 — CID 61097079

IUPAC2-[bromo-[4-(2-methoxyethyl)phenyl]methyl]oxolane
SMILESCOCCc1ccc(C(Br)C2CCCO2)cc1
InChIInChI=1S/C14H19BrO2/c1-16-10-8-11-4-6-12(7-5-11)14(15)13-3-2-9-17-13/h4-7,13-14H,2-3,8-10H2,1H3
InChIKeyVACCIVUAHPBSSW-UHFFFAOYSA-N
MW299.21 g/mol
LogP3.49
Rot. Bonds5

About 2-[bromo-[4-(2-methoxyethyl)phenyl]methyl]oxolane

2-[bromo-[4-(2-methoxyethyl)phenyl]methyl]oxolane (PubChem CID 61097079) has the molecular formula C14H19BrO2 and a molecular weight of 299.21 g/mol. Its IUPAC name is 2-[bromo-[4-(2-methoxyethyl)phenyl]methyl]oxolane.

Molecular Properties

Compound Name2-[bromo-[4-(2-methoxyethyl)phenyl]methyl]oxolane
PubChem CID61097079
Molecular FormulaC14H19BrO2
Molecular Weight299.21 g/mol
Exact Mass298.06
IUPAC Name2-[bromo-[4-(2-methoxyethyl)phenyl]methyl]oxolane
SMILESCOCCc1ccc(C(Br)C2CCCO2)cc1
InChIInChI=1S/C14H19BrO2/c1-16-10-8-11-4-6-12(7-5-11)14(15)13-3-2-9-17-13/h4-7,13-14H,2-3,8-10H2,1H3
InChIKeyVACCIVUAHPBSSW-UHFFFAOYSA-N
XLogP3.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 53.49
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

N-[[4-(2-methoxyethyl)phenyl]-(oxolan-2-yl)methyl]ethanamine
CID 43489770
2-[bromo-(4-propan-2-ylphenyl)methyl]oxolane
CID 61098410
1-[4-(2-methoxyethyl)phenyl]-3-(oxolan-2-yl)propan-1-amine
CID 65154898
3-[bromo-[4-(2-methoxyethyl)phenyl]methyl]-2,4,5-trimethyloxolane
CID 65157819
2-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]oxolane
CID 61085309
2-[bromo-(4-cyclohexylphenyl)methyl]oxane
CID 63440343
cyclobutyl-[4-(2-methoxyethyl)phenyl]methanamine
CID 43198323
1-[chloro(cyclopropyl)methyl]-4-(2-methoxyethyl)benzene
CID 61084514
2-[bromo-(3,4-dimethylphenyl)methyl]oxane
CID 62212675
(2R)-2-(1-bromo-3-phenylpropyl)oxolane
CID 139247608
N-[[4-(2-methoxyethyl)phenyl]-(oxan-3-yl)methyl]propan-1-amine
CID 63012897
5-[bromo(oxolan-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 61096710

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-[4-(2-methoxyethyl)phenyl]methyl]oxolane?
The IUPAC name of 2-[bromo-[4-(2-methoxyethyl)phenyl]methyl]oxolane (CID 61097079) is 2-[bromo-[4-(2-methoxyethyl)phenyl]methyl]oxolane.
What is the SMILES notation for 2-[bromo-[4-(2-methoxyethyl)phenyl]methyl]oxolane?
The canonical SMILES for 2-[bromo-[4-(2-methoxyethyl)phenyl]methyl]oxolane is COCCc1ccc(C(Br)C2CCCO2)cc1.
What is the InChIKey of 2-[bromo-[4-(2-methoxyethyl)phenyl]methyl]oxolane?
The InChIKey is VACCIVUAHPBSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO2/c1-16-10-8-11-4-6-12(7-5-11)14(15)13-3-2-9-17-13/h4-7,13-14H,2-3,8-10H2,1H3.
What are the key properties of 2-[bromo-[4-(2-methoxyethyl)phenyl]methyl]oxolane?
2-[bromo-[4-(2-methoxyethyl)phenyl]methyl]oxolane has a molecular weight of 299.21 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-[4-(2-methoxyethyl)phenyl]methyl]oxolane is sourced from PubChem (CID 61097079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).