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

C19H20O4 — CID 54364867

IUPAC(2-methoxy-4-prop-2-enylphenyl) 2-ethoxybenzoate
SMILESC=CCc1ccc(OC(=O)c2ccccc2OCC)c(OC)c1
InChIInChI=1S/C19H20O4/c1-4-8-14-11-12-17(18(13-14)21-3)23-19(20)15-9-6-7-10-16(15)22-5-2/h4,6-7,9-13H,1,5,8H2,2-3H3
InChIKeyUPBWMIVQHUOGOL-UHFFFAOYSA-N
MW312.37 g/mol
LogP4.04
Rot. Bonds7

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

(2-methoxy-4-prop-2-enylphenyl) 2-ethoxybenzoate (PubChem CID 54364867) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is (2-methoxy-4-prop-2-enylphenyl) 2-ethoxybenzoate.

Molecular Properties

Compound Name(2-methoxy-4-prop-2-enylphenyl) 2-ethoxybenzoate
PubChem CID54364867
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Name(2-methoxy-4-prop-2-enylphenyl) 2-ethoxybenzoate
SMILESC=CCc1ccc(OC(=O)c2ccccc2OCC)c(OC)c1
InChIInChI=1S/C19H20O4/c1-4-8-14-11-12-17(18(13-14)21-3)23-19(20)15-9-6-7-10-16(15)22-5-2/h4,6-7,9-13H,1,5,8H2,2-3H3
InChIKeyUPBWMIVQHUOGOL-UHFFFAOYSA-N
XLogP4.04
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.04
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

(2-ethoxy-4-ethylphenyl) 2-ethoxybenzoate
CID 176892639
1-(2-ethoxyphenyl)-2-methoxy-4-prop-2-enylbenzene
CID 170842008
(2-methoxy-4-prop-2-enylphenyl) 2-phenoxyacetate
CID 137496757
acetic acid;(2-methoxy-4-prop-2-enylphenyl) acetate
CID 159570421
(2-ethoxy-4-formylphenyl) 2-ethoxybenzoate
CID 23011379
chloromethyl (2-methoxy-4-prop-2-enylphenyl) carbonate
CID 88995763
bis(2-methoxy-4-prop-2-enylphenyl) pentanedioate
CID 139030994
(2-methoxy-4-prop-2-enylphenyl) (2R)-2-methylbutanoate
CID 93483199
N-[(3,4-dimethoxyphenyl)methyl]-2-ethoxybenzamide
CID 17070136
(4-formyl-2-methoxyphenyl) 2-propoxybenzoate
CID 23013443
1,2-dimethoxy-4-prop-2-enylbenzene;ethane
CID 143927430
(2-methoxyphenyl) 3-ethoxynaphthalene-2-carboxylate
CID 24505759

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-4-prop-2-enylphenyl) 2-ethoxybenzoate?
The IUPAC name of (2-methoxy-4-prop-2-enylphenyl) 2-ethoxybenzoate (CID 54364867) is (2-methoxy-4-prop-2-enylphenyl) 2-ethoxybenzoate.
What is the SMILES notation for (2-methoxy-4-prop-2-enylphenyl) 2-ethoxybenzoate?
The canonical SMILES for (2-methoxy-4-prop-2-enylphenyl) 2-ethoxybenzoate is C=CCc1ccc(OC(=O)c2ccccc2OCC)c(OC)c1.
What is the InChIKey of (2-methoxy-4-prop-2-enylphenyl) 2-ethoxybenzoate?
The InChIKey is UPBWMIVQHUOGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O4/c1-4-8-14-11-12-17(18(13-14)21-3)23-19(20)15-9-6-7-10-16(15)22-5-2/h4,6-7,9-13H,1,5,8H2,2-3H3.
What are the key properties of (2-methoxy-4-prop-2-enylphenyl) 2-ethoxybenzoate?
(2-methoxy-4-prop-2-enylphenyl) 2-ethoxybenzoate has a molecular weight of 312.37 g/mol, XLogP of 4.04, 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-ethoxybenzoate is sourced from PubChem (CID 54364867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).