[4-[4-(methoxymethoxy)phenyl]phenoxy]methyl prop-2-enoate

C18H18O5 — CID 59281810

IUPAC[4-[4-(methoxymethoxy)phenyl]phenoxy]methyl prop-2-enoate
SMILESC=CC(=O)OCOc1ccc(-c2ccc(OCOC)cc2)cc1
InChIInChI=1S/C18H18O5/c1-3-18(19)23-13-22-17-10-6-15(7-11-17)14-4-8-16(9-5-14)21-12-20-2/h3-11H,1,12-13H2,2H3
InChIKeyZZIDIRFPVWPCPD-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.40
Rot. Bonds8

About [4-[4-(methoxymethoxy)phenyl]phenoxy]methyl prop-2-enoate

[4-[4-(methoxymethoxy)phenyl]phenoxy]methyl prop-2-enoate (PubChem CID 59281810) has the molecular formula C18H18O5 and a molecular weight of 314.34 g/mol. Its IUPAC name is [4-[4-(methoxymethoxy)phenyl]phenoxy]methyl prop-2-enoate.

Molecular Properties

Compound Name[4-[4-(methoxymethoxy)phenyl]phenoxy]methyl prop-2-enoate
PubChem CID59281810
Molecular FormulaC18H18O5
Molecular Weight314.34 g/mol
Exact Mass314.12
IUPAC Name[4-[4-(methoxymethoxy)phenyl]phenoxy]methyl prop-2-enoate
SMILESC=CC(=O)OCOc1ccc(-c2ccc(OCOC)cc2)cc1
InChIInChI=1S/C18H18O5/c1-3-18(19)23-13-22-17-10-6-15(7-11-17)14-4-8-16(9-5-14)21-12-20-2/h3-11H,1,12-13H2,2H3
InChIKeyZZIDIRFPVWPCPD-UHFFFAOYSA-N
XLogP3.40
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[4-[4-[4-(prop-2-enoyloxymethoxy)phenyl]benzoyl]oxyphenyl] 4-[4-(prop-2-enoyloxymethoxy)phenyl]benzoate
CID 90051323
[4-(4-isocyanophenyl)phenoxy]methyl prop-2-enoate
CID 58722719
4-[4-(prop-2-enoyloxymethoxy)phenyl]benzenesulfinate
CID 21361886
2-[4-(4-methoxyphenyl)phenoxy]ethyl prop-2-enoate
CID 59181081
[2-[4-[4-(prop-2-enoyloxymethoxy)phenyl]benzoyl]oxyphenyl] 4-[4-(prop-2-enoyloxymethoxy)phenyl]benzoate
CID 59181099
methane;4-(prop-2-enoyloxymethoxy)benzoic acid
CID 158280789
(4-methoxycarbonylphenyl) 4-(prop-2-enoyloxymethoxy)benzoate
CID 54225786
3-[4-[4-[4-(3-prop-2-enoyloxypropoxy)phenyl]phenyl]phenoxy]propyl prop-2-enoate
CID 158971258
[4-(2-hydroxy-2-methylpropanoyl)phenoxy]methyl prop-2-enoate
CID 155152868
[4-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]phenyl] 4-(2-oxobut-3-enoxy)benzoate
CID 58309233
methane;[4-[[4-[(4-prop-2-enoyloxyphenyl)methyl]phenyl]methyl]phenoxy]methyl prop-2-enoate
CID 157445975
[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylphenyl] 4-prop-2-enoxybenzoate
CID 129081661

Frequently Asked Questions

What is the IUPAC name of [4-[4-(methoxymethoxy)phenyl]phenoxy]methyl prop-2-enoate?
The IUPAC name of [4-[4-(methoxymethoxy)phenyl]phenoxy]methyl prop-2-enoate (CID 59281810) is [4-[4-(methoxymethoxy)phenyl]phenoxy]methyl prop-2-enoate.
What is the SMILES notation for [4-[4-(methoxymethoxy)phenyl]phenoxy]methyl prop-2-enoate?
The canonical SMILES for [4-[4-(methoxymethoxy)phenyl]phenoxy]methyl prop-2-enoate is C=CC(=O)OCOc1ccc(-c2ccc(OCOC)cc2)cc1.
What is the InChIKey of [4-[4-(methoxymethoxy)phenyl]phenoxy]methyl prop-2-enoate?
The InChIKey is ZZIDIRFPVWPCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O5/c1-3-18(19)23-13-22-17-10-6-15(7-11-17)14-4-8-16(9-5-14)21-12-20-2/h3-11H,1,12-13H2,2H3.
What are the key properties of [4-[4-(methoxymethoxy)phenyl]phenoxy]methyl prop-2-enoate?
[4-[4-(methoxymethoxy)phenyl]phenoxy]methyl prop-2-enoate has a molecular weight of 314.34 g/mol, XLogP of 3.40, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(methoxymethoxy)phenyl]phenoxy]methyl prop-2-enoate is sourced from PubChem (CID 59281810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).