5-[[5-(chloromethyl)-2-methoxyphenoxy]methyl]-2,2-dimethyloxolane

C15H21ClO3 — CID 116522351

IUPAC5-[[5-(chloromethyl)-2-methoxyphenoxy]methyl]-2,2-dimethyloxolane
SMILESCOc1ccc(CCl)cc1OCC1CCC(C)(C)O1
InChIInChI=1S/C15H21ClO3/c1-15(2)7-6-12(19-15)10-18-14-8-11(9-16)4-5-13(14)17-3/h4-5,8,12H,6-7,9-10H2,1-3H3
InChIKeyWMHFMZNQBGAARH-UHFFFAOYSA-N
MW284.78 g/mol
LogP3.77
Rot. Bonds5

About 5-[[5-(chloromethyl)-2-methoxyphenoxy]methyl]-2,2-dimethyloxolane

5-[[5-(chloromethyl)-2-methoxyphenoxy]methyl]-2,2-dimethyloxolane (PubChem CID 116522351) has the molecular formula C15H21ClO3 and a molecular weight of 284.78 g/mol. Its IUPAC name is 5-[[5-(chloromethyl)-2-methoxyphenoxy]methyl]-2,2-dimethyloxolane.

Molecular Properties

Compound Name5-[[5-(chloromethyl)-2-methoxyphenoxy]methyl]-2,2-dimethyloxolane
PubChem CID116522351
Molecular FormulaC15H21ClO3
Molecular Weight284.78 g/mol
Exact Mass284.12
IUPAC Name5-[[5-(chloromethyl)-2-methoxyphenoxy]methyl]-2,2-dimethyloxolane
SMILESCOc1ccc(CCl)cc1OCC1CCC(C)(C)O1
InChIInChI=1S/C15H21ClO3/c1-15(2)7-6-12(19-15)10-18-14-8-11(9-16)4-5-13(14)17-3/h4-5,8,12H,6-7,9-10H2,1-3H3
InChIKeyWMHFMZNQBGAARH-UHFFFAOYSA-N
XLogP3.77
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.78
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[3-[(5,5-dimethyloxolan-2-yl)methoxy]-4-methoxyphenyl]propan-2-amine
CID 116523105
4-(chloromethyl)-2-(cyclopropylmethoxy)-1-methoxybenzene
CID 22456846
5-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-2,2-dimethyloxolane
CID 116522368
4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-methoxybenzonitrile
CID 116521820
1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-methoxyphenyl]ethanone
CID 116521891
2-(chloromethyl)-3-[(5,5-dimethyloxolan-2-yl)methoxy]-6-methylpyridine
CID 116522398
(1R)-1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-methoxyphenyl]ethanol
CID 104889574
2-[[5-(bromomethyl)-2-methoxyphenoxy]methyl]-1-oxaspiro[4.4]nonane
CID 102898749
(1R)-1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-methoxyphenyl]ethanamine
CID 104889481
5-[[1-(chloromethyl)naphthalen-2-yl]oxymethyl]-2,2-dimethyloxolane
CID 116522378
5-[[2-(bromomethyl)-4-methoxyphenoxy]methyl]-2,2-dimethyloxolane
CID 116522372
[2-[(5,5-dimethyloxolan-2-yl)methoxy]-4-methoxyphenyl]methanol
CID 116522289

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(chloromethyl)-2-methoxyphenoxy]methyl]-2,2-dimethyloxolane?
The IUPAC name of 5-[[5-(chloromethyl)-2-methoxyphenoxy]methyl]-2,2-dimethyloxolane (CID 116522351) is 5-[[5-(chloromethyl)-2-methoxyphenoxy]methyl]-2,2-dimethyloxolane.
What is the SMILES notation for 5-[[5-(chloromethyl)-2-methoxyphenoxy]methyl]-2,2-dimethyloxolane?
The canonical SMILES for 5-[[5-(chloromethyl)-2-methoxyphenoxy]methyl]-2,2-dimethyloxolane is COc1ccc(CCl)cc1OCC1CCC(C)(C)O1.
What is the InChIKey of 5-[[5-(chloromethyl)-2-methoxyphenoxy]methyl]-2,2-dimethyloxolane?
The InChIKey is WMHFMZNQBGAARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO3/c1-15(2)7-6-12(19-15)10-18-14-8-11(9-16)4-5-13(14)17-3/h4-5,8,12H,6-7,9-10H2,1-3H3.
What are the key properties of 5-[[5-(chloromethyl)-2-methoxyphenoxy]methyl]-2,2-dimethyloxolane?
5-[[5-(chloromethyl)-2-methoxyphenoxy]methyl]-2,2-dimethyloxolane has a molecular weight of 284.78 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(chloromethyl)-2-methoxyphenoxy]methyl]-2,2-dimethyloxolane is sourced from PubChem (CID 116522351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).