2-[(3-bromo-4-methoxyphenyl)methoxymethyl]oxolane

C13H17BrO3 — CID 54970562

IUPAC2-[(3-bromo-4-methoxyphenyl)methoxymethyl]oxolane
SMILESCOc1ccc(COCC2CCCO2)cc1Br
InChIInChI=1S/C13H17BrO3/c1-15-13-5-4-10(7-12(13)14)8-16-9-11-3-2-6-17-11/h4-5,7,11H,2-3,6,8-9H2,1H3
InChIKeyWCVHNJKNIZAYKZ-UHFFFAOYSA-N
MW301.18 g/mol
LogP3.15
Rot. Bonds5

About 2-[(3-bromo-4-methoxyphenyl)methoxymethyl]oxolane

2-[(3-bromo-4-methoxyphenyl)methoxymethyl]oxolane (PubChem CID 54970562) has the molecular formula C13H17BrO3 and a molecular weight of 301.18 g/mol. Its IUPAC name is 2-[(3-bromo-4-methoxyphenyl)methoxymethyl]oxolane.

Molecular Properties

Compound Name2-[(3-bromo-4-methoxyphenyl)methoxymethyl]oxolane
PubChem CID54970562
Molecular FormulaC13H17BrO3
Molecular Weight301.18 g/mol
Exact Mass300.04
IUPAC Name2-[(3-bromo-4-methoxyphenyl)methoxymethyl]oxolane
SMILESCOc1ccc(COCC2CCCO2)cc1Br
InChIInChI=1S/C13H17BrO3/c1-15-13-5-4-10(7-12(13)14)8-16-9-11-3-2-6-17-11/h4-5,7,11H,2-3,6,8-9H2,1H3
InChIKeyWCVHNJKNIZAYKZ-UHFFFAOYSA-N
XLogP3.15
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-4-(oxan-2-ylmethoxymethyl)benzoic acid
CID 106793954
1-(3-bromo-4-methoxyphenyl)-4-(oxolan-2-yl)butan-2-one
CID 114964693
2-[(2-bromo-4-methoxyphenoxy)methyl]oxolane
CID 104705218
2-methoxy-4-(oxolan-2-ylmethoxymethyl)benzenecarboximidamide
CID 106791157
N'-hydroxy-2-methoxy-5-(oxan-2-ylmethoxymethyl)benzenecarboximidamide
CID 77066016
1-[(3-bromo-4-methoxyphenyl)methyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 95158953
4-methoxy-3-(oxolan-2-ylmethoxymethyl)benzoic acid
CID 62023686
methyl 4-(oxolan-2-ylmethoxymethyl)benzoate
CID 43120523
2-[(3-fluorophenyl)methoxymethyl]oxolane
CID 91656930
2-[3-(3-bromo-4-methoxyphenyl)-3-chloropropyl]oxolane
CID 65158142
4-(oxolan-2-ylmethoxymethyl)benzonitrile
CID 24707627
2-[[2-bromo-4-(chloromethyl)-6-methoxyphenoxy]methyl]oxane
CID 43622743

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-methoxyphenyl)methoxymethyl]oxolane?
The IUPAC name of 2-[(3-bromo-4-methoxyphenyl)methoxymethyl]oxolane (CID 54970562) is 2-[(3-bromo-4-methoxyphenyl)methoxymethyl]oxolane.
What is the SMILES notation for 2-[(3-bromo-4-methoxyphenyl)methoxymethyl]oxolane?
The canonical SMILES for 2-[(3-bromo-4-methoxyphenyl)methoxymethyl]oxolane is COc1ccc(COCC2CCCO2)cc1Br.
What is the InChIKey of 2-[(3-bromo-4-methoxyphenyl)methoxymethyl]oxolane?
The InChIKey is WCVHNJKNIZAYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrO3/c1-15-13-5-4-10(7-12(13)14)8-16-9-11-3-2-6-17-11/h4-5,7,11H,2-3,6,8-9H2,1H3.
What are the key properties of 2-[(3-bromo-4-methoxyphenyl)methoxymethyl]oxolane?
2-[(3-bromo-4-methoxyphenyl)methoxymethyl]oxolane has a molecular weight of 301.18 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4-methoxyphenyl)methoxymethyl]oxolane is sourced from PubChem (CID 54970562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).