[1-(4-benzylphenoxy)-3-methoxypropan-2-yl] prop-2-enoate

C20H22O4 — CID 142355257

IUPAC[1-(4-benzylphenoxy)-3-methoxypropan-2-yl] prop-2-enoate
SMILESC=CC(=O)OC(COC)COc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C20H22O4/c1-3-20(21)24-19(14-22-2)15-23-18-11-9-17(10-12-18)13-16-7-5-4-6-8-16/h3-12,19H,1,13-15H2,2H3
InChIKeySZFGRGUKHUBDCP-UHFFFAOYSA-N
MW326.39 g/mol
LogP3.40
Rot. Bonds9

About [1-(4-benzylphenoxy)-3-methoxypropan-2-yl] prop-2-enoate

[1-(4-benzylphenoxy)-3-methoxypropan-2-yl] prop-2-enoate (PubChem CID 142355257) has the molecular formula C20H22O4 and a molecular weight of 326.39 g/mol. Its IUPAC name is [1-(4-benzylphenoxy)-3-methoxypropan-2-yl] prop-2-enoate.

Molecular Properties

Compound Name[1-(4-benzylphenoxy)-3-methoxypropan-2-yl] prop-2-enoate
PubChem CID142355257
Molecular FormulaC20H22O4
Molecular Weight326.39 g/mol
Exact Mass326.15
IUPAC Name[1-(4-benzylphenoxy)-3-methoxypropan-2-yl] prop-2-enoate
SMILESC=CC(=O)OC(COC)COc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C20H22O4/c1-3-20(21)24-19(14-22-2)15-23-18-11-9-17(10-12-18)13-16-7-5-4-6-8-16/h3-12,19H,1,13-15H2,2H3
InChIKeySZFGRGUKHUBDCP-UHFFFAOYSA-N
XLogP3.40
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[1-(4-formylphenoxy)-3-methoxypropan-2-yl] prop-2-enoate
CID 145121720
methane;tetrakis([1-methoxy-3-(4-phenylphenoxy)propan-2-yl] prop-2-enoate);1,2,2-triphenylethylbenzene
CID 157429034
[1-phenoxy-3-[4-[2-[2-[4-(3-phenoxy-2-prop-2-enoyloxypropoxy)phenyl]phenyl]phenyl]phenoxy]propan-2-yl] prop-2-enoate
CID 118671524
1-benzyl-4-methoxybenzene;1-hydroxypropan-2-yl prop-2-enoate
CID 175225136
1,3-bis(4-hydroxyphenoxy)propan-2-yl prop-2-enoate
CID 58280736
[2-hydroxy-3-[4-[[4-(2-hydroxy-3-methoxypropoxy)phenyl]methyl]phenoxy]propyl] prop-2-enoate
CID 118443194
[1-[4-(benzotriazol-2-yl)-3-hydroxyphenoxy]-3-methoxypropan-2-yl] prop-2-enoate
CID 142563864
4-[2,3-di(prop-2-enoyloxy)propoxy]benzoic acid
CID 122419882
4-[3-(4-methoxyphenoxy)-2-prop-2-enoyloxypropoxy]butyl prop-2-enoate
CID 145123352
[1-(3-phenylphenoxy)-3-[3-[3-(3-phenylphenoxy)-2-prop-2-enoyloxypropoxy]phenoxy]propan-2-yl] prop-2-enoate
CID 23111038
[1-(4-chlorophenoxy)-3-phenylsulfanylpropan-2-yl] prop-2-enoate
CID 58961721
[3-[4-[4-[4-[2,3-di(prop-2-enoyloxy)propoxy]phenyl]sulfanylphenyl]sulfanylphenoxy]-2-prop-2-enoyloxypropyl] prop-2-enoate
CID 59739137

Frequently Asked Questions

What is the IUPAC name of [1-(4-benzylphenoxy)-3-methoxypropan-2-yl] prop-2-enoate?
The IUPAC name of [1-(4-benzylphenoxy)-3-methoxypropan-2-yl] prop-2-enoate (CID 142355257) is [1-(4-benzylphenoxy)-3-methoxypropan-2-yl] prop-2-enoate.
What is the SMILES notation for [1-(4-benzylphenoxy)-3-methoxypropan-2-yl] prop-2-enoate?
The canonical SMILES for [1-(4-benzylphenoxy)-3-methoxypropan-2-yl] prop-2-enoate is C=CC(=O)OC(COC)COc1ccc(Cc2ccccc2)cc1.
What is the InChIKey of [1-(4-benzylphenoxy)-3-methoxypropan-2-yl] prop-2-enoate?
The InChIKey is SZFGRGUKHUBDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O4/c1-3-20(21)24-19(14-22-2)15-23-18-11-9-17(10-12-18)13-16-7-5-4-6-8-16/h3-12,19H,1,13-15H2,2H3.
What are the key properties of [1-(4-benzylphenoxy)-3-methoxypropan-2-yl] prop-2-enoate?
[1-(4-benzylphenoxy)-3-methoxypropan-2-yl] prop-2-enoate has a molecular weight of 326.39 g/mol, XLogP of 3.40, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-benzylphenoxy)-3-methoxypropan-2-yl] prop-2-enoate is sourced from PubChem (CID 142355257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).