(4-ethyl-2-methoxyphenyl) acetate;propane

C14H22O3 — CID 160615709

IUPAC(4-ethyl-2-methoxyphenyl) acetate;propane
SMILESCCC.CCc1ccc(OC(C)=O)c(OC)c1
InChIInChI=1S/C11H14O3.C3H8/c1-4-9-5-6-10(14-8(2)12)11(7-9)13-3;1-3-2/h5-7H,4H2,1-3H3;3H2,1-2H3
InChIKeyRGBFSRJZLCBVCP-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.60
Rot. Bonds3

About (4-ethyl-2-methoxyphenyl) acetate;propane

(4-ethyl-2-methoxyphenyl) acetate;propane (PubChem CID 160615709) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is (4-ethyl-2-methoxyphenyl) acetate;propane.

Molecular Properties

Compound Name(4-ethyl-2-methoxyphenyl) acetate;propane
PubChem CID160615709
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name(4-ethyl-2-methoxyphenyl) acetate;propane
SMILESCCC.CCc1ccc(OC(C)=O)c(OC)c1
InChIInChI=1S/C11H14O3.C3H8/c1-4-9-5-6-10(14-8(2)12)11(7-9)13-3;1-3-2/h5-7H,4H2,1-3H3;3H2,1-2H3
InChIKeyRGBFSRJZLCBVCP-UHFFFAOYSA-N
XLogP3.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(4-acetyloxy-3-methoxyphenyl)acetate
CID 586458
(2-methoxy-4-prop-2-ynylphenyl) acetate
CID 101260759
(2-chloro-5-ethylphenyl) acetate
CID 142057542
(4-acetyloxy-7-ethyl-3-methoxynaphthalen-1-yl) acetate
CID 19872956
acetic acid;(2-methoxy-4-prop-2-enylphenyl) acetate
CID 159570421
[4-(2,3-dihydroxypropyl)-2-methoxyphenyl] acetate
CID 71332482
[4-[4-[4-(4-acetyloxy-3-methoxyphenyl)butoxy]butyl]-2-methoxyphenyl] acetate
CID 156696041
methyl 3-(4-acetyloxy-3-methoxyphenyl)-2-aminopropanoate
CID 170883282
acetic acid;[5-(hydroxymethyl)-2-methoxyphenyl] acetate
CID 71380784
(4-ethyl-2-methoxyphenyl) 3-(4-methylphenyl)propanoate
CID 176892680
(4-ethyl-2-propanoyloxyphenyl) propanoate
CID 90024003
(4-chloro-2-methoxyphenyl) acetate
CID 45073631

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-2-methoxyphenyl) acetate;propane?
The IUPAC name of (4-ethyl-2-methoxyphenyl) acetate;propane (CID 160615709) is (4-ethyl-2-methoxyphenyl) acetate;propane.
What is the SMILES notation for (4-ethyl-2-methoxyphenyl) acetate;propane?
The canonical SMILES for (4-ethyl-2-methoxyphenyl) acetate;propane is CCC.CCc1ccc(OC(C)=O)c(OC)c1.
What is the InChIKey of (4-ethyl-2-methoxyphenyl) acetate;propane?
The InChIKey is RGBFSRJZLCBVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3.C3H8/c1-4-9-5-6-10(14-8(2)12)11(7-9)13-3;1-3-2/h5-7H,4H2,1-3H3;3H2,1-2H3.
What are the key properties of (4-ethyl-2-methoxyphenyl) acetate;propane?
(4-ethyl-2-methoxyphenyl) acetate;propane has a molecular weight of 238.33 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-2-methoxyphenyl) acetate;propane is sourced from PubChem (CID 160615709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).