3-[4-(methoxymethoxy)phenyl]propyl acetate

C13H18O4 — CID 10490110

IUPAC3-[4-(methoxymethoxy)phenyl]propyl acetate
SMILESCOCOc1ccc(CCCOC(C)=O)cc1
InChIInChI=1S/C13H18O4/c1-11(14)16-9-3-4-12-5-7-13(8-6-12)17-10-15-2/h5-8H,3-4,9-10H2,1-2H3
InChIKeyQVKHJNFIBVULCL-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.16
Rot. Bonds7

About 3-[4-(methoxymethoxy)phenyl]propyl acetate

3-[4-(methoxymethoxy)phenyl]propyl acetate (PubChem CID 10490110) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is 3-[4-(methoxymethoxy)phenyl]propyl acetate.

Molecular Properties

Compound Name3-[4-(methoxymethoxy)phenyl]propyl acetate
PubChem CID10490110
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name3-[4-(methoxymethoxy)phenyl]propyl acetate
SMILESCOCOc1ccc(CCCOC(C)=O)cc1
InChIInChI=1S/C13H18O4/c1-11(14)16-9-3-4-12-5-7-13(8-6-12)17-10-15-2/h5-8H,3-4,9-10H2,1-2H3
InChIKeyQVKHJNFIBVULCL-UHFFFAOYSA-N
XLogP2.16
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[4-(methoxymethoxy)phenyl]ethanol
CID 16638841
4-(4-iodophenyl)butyl acetate
CID 67358099
2-(4-butylphenyl)ethyl acetate
CID 91655434
6-(4-chlorophenyl)hexyl acetate
CID 139787467
1,4-bis(methoxymethoxy)benzene
CID 542643
[4-(methoxymethoxy)phenyl]methanol
CID 11607984
2-[4-[[4-(2-acetyloxyethoxy)phenyl]methylsulfonylmethyl]phenoxy]ethyl acetate
CID 67511513
methoxymethyl 4-(methoxymethoxy)benzoate
CID 142723008
1-ethyl-4-(methoxymethoxy)benzene
CID 54365082
1-(methoxymethoxy)-4-(methoxymethyl)benzene
CID 59017141
4-[4-(3-methylsulfanylpropoxy)phenyl]butan-2-one
CID 115650921
5-(4-nitrophenyl)pentyl acetate
CID 101451915

Frequently Asked Questions

What is the IUPAC name of 3-[4-(methoxymethoxy)phenyl]propyl acetate?
The IUPAC name of 3-[4-(methoxymethoxy)phenyl]propyl acetate (CID 10490110) is 3-[4-(methoxymethoxy)phenyl]propyl acetate.
What is the SMILES notation for 3-[4-(methoxymethoxy)phenyl]propyl acetate?
The canonical SMILES for 3-[4-(methoxymethoxy)phenyl]propyl acetate is COCOc1ccc(CCCOC(C)=O)cc1.
What is the InChIKey of 3-[4-(methoxymethoxy)phenyl]propyl acetate?
The InChIKey is QVKHJNFIBVULCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-11(14)16-9-3-4-12-5-7-13(8-6-12)17-10-15-2/h5-8H,3-4,9-10H2,1-2H3.
What are the key properties of 3-[4-(methoxymethoxy)phenyl]propyl acetate?
3-[4-(methoxymethoxy)phenyl]propyl acetate has a molecular weight of 238.28 g/mol, XLogP of 2.16, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(methoxymethoxy)phenyl]propyl acetate is sourced from PubChem (CID 10490110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).