(2-methoxy-4-prop-2-enylphenyl) 2-phenoxyacetate

C18H18O4 — CID 137496757

IUPAC(2-methoxy-4-prop-2-enylphenyl) 2-phenoxyacetate
SMILESC=CCc1ccc(OC(=O)COc2ccccc2)c(OC)c1
InChIInChI=1S/C18H18O4/c1-3-7-14-10-11-16(17(12-14)20-2)22-18(19)13-21-15-8-5-4-6-9-15/h3-6,8-12H,1,7,13H2,2H3
InChIKeyFMMRGSRQXDHAME-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.41
Rot. Bonds7

About (2-methoxy-4-prop-2-enylphenyl) 2-phenoxyacetate

(2-methoxy-4-prop-2-enylphenyl) 2-phenoxyacetate (PubChem CID 137496757) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is (2-methoxy-4-prop-2-enylphenyl) 2-phenoxyacetate.

Molecular Properties

Compound Name(2-methoxy-4-prop-2-enylphenyl) 2-phenoxyacetate
PubChem CID137496757
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Name(2-methoxy-4-prop-2-enylphenyl) 2-phenoxyacetate
SMILESC=CCc1ccc(OC(=O)COc2ccccc2)c(OC)c1
InChIInChI=1S/C18H18O4/c1-3-7-14-10-11-16(17(12-14)20-2)22-18(19)13-21-15-8-5-4-6-9-15/h3-6,8-12H,1,7,13H2,2H3
InChIKeyFMMRGSRQXDHAME-UHFFFAOYSA-N
XLogP3.41
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-formyl-2-methoxyphenyl) 2-(2-methoxy-4-prop-2-enylphenoxy)acetate
CID 174832447
bis(2-methoxy-4-prop-2-enylphenyl) pentanedioate
CID 139030994
acetic acid;(2-methoxy-4-prop-2-enylphenyl) acetate
CID 159570421
2-hydroxy-4-(2-methoxy-4-prop-2-enylphenoxy)-4-oxobutanoic acid
CID 67325524
methyl (E)-3-[3-methoxy-4-[2-(2-methoxy-4-prop-2-enylphenoxy)-2-oxoethoxy]phenyl]prop-2-enoate
CID 162516171
(4-cyano-2-methoxyphenyl) 2-phenoxyacetate
CID 2715586
(2-methyl-5-propan-2-ylphenyl) 2-(2-methoxy-4-prop-2-enylphenoxy)acetate
CID 142294967
(2-methoxy-4-prop-2-enylphenyl) 2-ethoxybenzoate
CID 54364867
N-benzhydryl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 7714022
(2-methoxy-4-prop-2-enylphenyl) (2R)-2-methylbutanoate
CID 93483199
ethoxybenzene;2-methoxy-4-prop-2-enylphenol
CID 69392132
methyl 2-[2-(2-methoxy-2-oxoethoxy)-4-prop-2-enylphenoxy]acetate
CID 67377849

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-4-prop-2-enylphenyl) 2-phenoxyacetate?
The IUPAC name of (2-methoxy-4-prop-2-enylphenyl) 2-phenoxyacetate (CID 137496757) is (2-methoxy-4-prop-2-enylphenyl) 2-phenoxyacetate.
What is the SMILES notation for (2-methoxy-4-prop-2-enylphenyl) 2-phenoxyacetate?
The canonical SMILES for (2-methoxy-4-prop-2-enylphenyl) 2-phenoxyacetate is C=CCc1ccc(OC(=O)COc2ccccc2)c(OC)c1.
What is the InChIKey of (2-methoxy-4-prop-2-enylphenyl) 2-phenoxyacetate?
The InChIKey is FMMRGSRQXDHAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O4/c1-3-7-14-10-11-16(17(12-14)20-2)22-18(19)13-21-15-8-5-4-6-9-15/h3-6,8-12H,1,7,13H2,2H3.
What are the key properties of (2-methoxy-4-prop-2-enylphenyl) 2-phenoxyacetate?
(2-methoxy-4-prop-2-enylphenyl) 2-phenoxyacetate has a molecular weight of 298.34 g/mol, XLogP of 3.41, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-4-prop-2-enylphenyl) 2-phenoxyacetate is sourced from PubChem (CID 137496757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).