(2-methoxy-6-propylphenyl) acetate

C12H16O3 — CID 170893292

IUPAC(2-methoxy-6-propylphenyl) acetate
SMILESCCCc1cccc(OC)c1OC(C)=O
InChIInChI=1S/C12H16O3/c1-4-6-10-7-5-8-11(14-3)12(10)15-9(2)13/h5,7-8H,4,6H2,1-3H3
InChIKeyNTXXLDLNDXJJDG-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.57
Rot. Bonds4

About (2-methoxy-6-propylphenyl) acetate

(2-methoxy-6-propylphenyl) acetate (PubChem CID 170893292) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is (2-methoxy-6-propylphenyl) acetate.

Molecular Properties

Compound Name(2-methoxy-6-propylphenyl) acetate
PubChem CID170893292
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name(2-methoxy-6-propylphenyl) acetate
SMILESCCCc1cccc(OC)c1OC(C)=O
InChIInChI=1S/C12H16O3/c1-4-6-10-7-5-8-11(14-3)12(10)15-9(2)13/h5,7-8H,4,6H2,1-3H3
InChIKeyNTXXLDLNDXJJDG-UHFFFAOYSA-N
XLogP2.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.57
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

(2-acetyloxy-3-dodecylphenyl) acetate
CID 140675695
(2-acetyloxy-3-methoxyphenyl) acetate
CID 11564821
3-(2-acetyloxy-3-methoxyphenyl)-2-aminopropanoic acid
CID 170879571
[2-(dimethylcarbamoyloxy)-3-propylphenyl] N,N-dimethylcarbamate
CID 24836204
(2,6-diethylphenyl) acetate
CID 23273842
(2,3-dimethoxy-7-oxocyclohepta-1,3,5-trien-1-yl) acetate
CID 135037831
ethane;2-methoxy-6-propylphenol
CID 142869062
1-(2-ethoxy-3-methoxyphenyl)propan-2-one
CID 13306100
[2-acetyloxy-3-(8-oxooctyl)phenyl] acetate
CID 15087876
cyclopropyl-(2-methoxy-6-propylphenyl)methanone
CID 71021142
bis(2-propylphenyl) carbonate
CID 66781525
(2-butanoyloxy-3-methoxyphenyl) butanoate
CID 140675737

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-6-propylphenyl) acetate?
The IUPAC name of (2-methoxy-6-propylphenyl) acetate (CID 170893292) is (2-methoxy-6-propylphenyl) acetate.
What is the SMILES notation for (2-methoxy-6-propylphenyl) acetate?
The canonical SMILES for (2-methoxy-6-propylphenyl) acetate is CCCc1cccc(OC)c1OC(C)=O.
What is the InChIKey of (2-methoxy-6-propylphenyl) acetate?
The InChIKey is NTXXLDLNDXJJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-4-6-10-7-5-8-11(14-3)12(10)15-9(2)13/h5,7-8H,4,6H2,1-3H3.
What are the key properties of (2-methoxy-6-propylphenyl) acetate?
(2-methoxy-6-propylphenyl) acetate has a molecular weight of 208.26 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-6-propylphenyl) acetate is sourced from PubChem (CID 170893292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).