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

C17H25ClO3 — CID 116522374

IUPAC5-[[2-(chloromethyl)-5-propoxyphenoxy]methyl]-2,2-dimethyloxolane
SMILESCCCOc1ccc(CCl)c(OCC2CCC(C)(C)O2)c1
InChIInChI=1S/C17H25ClO3/c1-4-9-19-14-6-5-13(11-18)16(10-14)20-12-15-7-8-17(2,3)21-15/h5-6,10,15H,4,7-9,11-12H2,1-3H3
InChIKeySBIUPLCSOYWKLU-UHFFFAOYSA-N
MW312.84 g/mol
LogP4.55
Rot. Bonds7

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

5-[[2-(chloromethyl)-5-propoxyphenoxy]methyl]-2,2-dimethyloxolane (PubChem CID 116522374) has the molecular formula C17H25ClO3 and a molecular weight of 312.84 g/mol. Its IUPAC name is 5-[[2-(chloromethyl)-5-propoxyphenoxy]methyl]-2,2-dimethyloxolane.

Molecular Properties

Compound Name5-[[2-(chloromethyl)-5-propoxyphenoxy]methyl]-2,2-dimethyloxolane
PubChem CID116522374
Molecular FormulaC17H25ClO3
Molecular Weight312.84 g/mol
Exact Mass312.15
IUPAC Name5-[[2-(chloromethyl)-5-propoxyphenoxy]methyl]-2,2-dimethyloxolane
SMILESCCCOc1ccc(CCl)c(OCC2CCC(C)(C)O2)c1
InChIInChI=1S/C17H25ClO3/c1-4-9-19-14-6-5-13(11-18)16(10-14)20-12-15-7-8-17(2,3)21-15/h5-6,10,15H,4,7-9,11-12H2,1-3H3
InChIKeySBIUPLCSOYWKLU-UHFFFAOYSA-N
XLogP4.55
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 54.55
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

[2-[(5,5-dimethyloxolan-2-yl)methoxy]-4-methoxyphenyl]methanol
CID 116522289
5-[[2-(bromomethyl)-5-methoxyphenoxy]methyl]-2,2-dimethyloxolane
CID 116522388
5-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-2,2-dimethyloxolane
CID 116522368
1-(chloromethyl)-2-heptoxy-4-propoxybenzene
CID 43472305
5-[[5-(chloromethyl)-2-methoxyphenoxy]methyl]-2,2-dimethyloxolane
CID 116522351
N-[(5,5-dimethyloxolan-2-yl)methyl]-4-propoxyaniline
CID 116521401
5-[[2-(bromomethyl)-4-methoxyphenoxy]methyl]-2,2-dimethyloxolane
CID 116522372
2-(chloromethyl)-3-[(5,5-dimethyloxolan-2-yl)methoxy]-6-methylpyridine
CID 116522398
(5S)-2,2-dimethyl-5-(phenoxymethyl)oxolane
CID 141293396
5-[[1-(chloromethyl)naphthalen-2-yl]oxymethyl]-2,2-dimethyloxolane
CID 116522378
1-[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methoxyphenyl]propan-2-amine
CID 116523092
1-(chloromethyl)-2-[2-(2-methylpropoxy)ethoxy]-4-propoxybenzene
CID 106453976

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(chloromethyl)-5-propoxyphenoxy]methyl]-2,2-dimethyloxolane?
The IUPAC name of 5-[[2-(chloromethyl)-5-propoxyphenoxy]methyl]-2,2-dimethyloxolane (CID 116522374) is 5-[[2-(chloromethyl)-5-propoxyphenoxy]methyl]-2,2-dimethyloxolane.
What is the SMILES notation for 5-[[2-(chloromethyl)-5-propoxyphenoxy]methyl]-2,2-dimethyloxolane?
The canonical SMILES for 5-[[2-(chloromethyl)-5-propoxyphenoxy]methyl]-2,2-dimethyloxolane is CCCOc1ccc(CCl)c(OCC2CCC(C)(C)O2)c1.
What is the InChIKey of 5-[[2-(chloromethyl)-5-propoxyphenoxy]methyl]-2,2-dimethyloxolane?
The InChIKey is SBIUPLCSOYWKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClO3/c1-4-9-19-14-6-5-13(11-18)16(10-14)20-12-15-7-8-17(2,3)21-15/h5-6,10,15H,4,7-9,11-12H2,1-3H3.
What are the key properties of 5-[[2-(chloromethyl)-5-propoxyphenoxy]methyl]-2,2-dimethyloxolane?
5-[[2-(chloromethyl)-5-propoxyphenoxy]methyl]-2,2-dimethyloxolane has a molecular weight of 312.84 g/mol, XLogP of 4.55, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(chloromethyl)-5-propoxyphenoxy]methyl]-2,2-dimethyloxolane is sourced from PubChem (CID 116522374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).