2-[4-(bromomethyl)-5-(2-methoxyphenyl)pentyl]oxolane

C17H25BrO2 — CID 66042561

IUPAC2-[4-(bromomethyl)-5-(2-methoxyphenyl)pentyl]oxolane
SMILESCOc1ccccc1CC(CBr)CCCC1CCCO1
InChIInChI=1S/C17H25BrO2/c1-19-17-10-3-2-7-15(17)12-14(13-18)6-4-8-16-9-5-11-20-16/h2-3,7,10,14,16H,4-6,8-9,11-13H2,1H3
InChIKeyYCQZQJNKDCQJTH-UHFFFAOYSA-N
MW341.29 g/mol
LogP4.60
Rot. Bonds8

About 2-[4-(bromomethyl)-5-(2-methoxyphenyl)pentyl]oxolane

2-[4-(bromomethyl)-5-(2-methoxyphenyl)pentyl]oxolane (PubChem CID 66042561) has the molecular formula C17H25BrO2 and a molecular weight of 341.29 g/mol. Its IUPAC name is 2-[4-(bromomethyl)-5-(2-methoxyphenyl)pentyl]oxolane.

Molecular Properties

Compound Name2-[4-(bromomethyl)-5-(2-methoxyphenyl)pentyl]oxolane
PubChem CID66042561
Molecular FormulaC17H25BrO2
Molecular Weight341.29 g/mol
Exact Mass340.10
IUPAC Name2-[4-(bromomethyl)-5-(2-methoxyphenyl)pentyl]oxolane
SMILESCOc1ccccc1CC(CBr)CCCC1CCCO1
InChIInChI=1S/C17H25BrO2/c1-19-17-10-3-2-7-15(17)12-14(13-18)6-4-8-16-9-5-11-20-16/h2-3,7,10,14,16H,4-6,8-9,11-13H2,1H3
InChIKeyYCQZQJNKDCQJTH-UHFFFAOYSA-N
XLogP4.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 54.60
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

2-[4-(bromomethyl)-5-(4-fluorophenyl)pentyl]oxolane
CID 66042483
2-[(2-bromophenyl)methyl]-N-ethyl-5-(oxolan-2-yl)pentan-1-amine
CID 65165923
1-[2-(bromomethyl)-5-methylhexyl]-2-methoxybenzene
CID 66041959
1-[2-(bromomethyl)-5-ethylsulfonylpentyl]-2-methoxybenzene
CID 66041761
N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 964934
[2-(bromomethyl)-3-(2-methoxyphenyl)propyl]-trimethylsilane
CID 106324211
[3-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]methanamine
CID 65158689
1-(2,6-dimethoxyphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 104993546
1-(3,4-dimethoxyphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 65167177
N-ethyl-1-(2-methoxyphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65166709
1-(5-bromo-2-methoxyphenyl)-4-(oxolan-2-yl)butan-2-ol
CID 115779296
2-[3-bromo-3-(4-methoxynaphthalen-1-yl)propyl]oxolane
CID 65157917

Frequently Asked Questions

What is the IUPAC name of 2-[4-(bromomethyl)-5-(2-methoxyphenyl)pentyl]oxolane?
The IUPAC name of 2-[4-(bromomethyl)-5-(2-methoxyphenyl)pentyl]oxolane (CID 66042561) is 2-[4-(bromomethyl)-5-(2-methoxyphenyl)pentyl]oxolane.
What is the SMILES notation for 2-[4-(bromomethyl)-5-(2-methoxyphenyl)pentyl]oxolane?
The canonical SMILES for 2-[4-(bromomethyl)-5-(2-methoxyphenyl)pentyl]oxolane is COc1ccccc1CC(CBr)CCCC1CCCO1.
What is the InChIKey of 2-[4-(bromomethyl)-5-(2-methoxyphenyl)pentyl]oxolane?
The InChIKey is YCQZQJNKDCQJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrO2/c1-19-17-10-3-2-7-15(17)12-14(13-18)6-4-8-16-9-5-11-20-16/h2-3,7,10,14,16H,4-6,8-9,11-13H2,1H3.
What are the key properties of 2-[4-(bromomethyl)-5-(2-methoxyphenyl)pentyl]oxolane?
2-[4-(bromomethyl)-5-(2-methoxyphenyl)pentyl]oxolane has a molecular weight of 341.29 g/mol, XLogP of 4.60, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(bromomethyl)-5-(2-methoxyphenyl)pentyl]oxolane is sourced from PubChem (CID 66042561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).