[2,3-diacetyloxy-5-(methoxymethyl)phenyl] acetate

C14H16O7 — CID 14261267

IUPAC[2,3-diacetyloxy-5-(methoxymethyl)phenyl] acetate
SMILESCOCc1cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c1
InChIInChI=1S/C14H16O7/c1-8(15)19-12-5-11(7-18-4)6-13(20-9(2)16)14(12)21-10(3)17/h5-6H,7H2,1-4H3
InChIKeyCAHWHTZJKRNHIT-UHFFFAOYSA-N
MW296.28 g/mol
LogP1.61
Rot. Bonds5

About [2,3-diacetyloxy-5-(methoxymethyl)phenyl] acetate

[2,3-diacetyloxy-5-(methoxymethyl)phenyl] acetate (PubChem CID 14261267) has the molecular formula C14H16O7 and a molecular weight of 296.28 g/mol. Its IUPAC name is [2,3-diacetyloxy-5-(methoxymethyl)phenyl] acetate.

Molecular Properties

Compound Name[2,3-diacetyloxy-5-(methoxymethyl)phenyl] acetate
PubChem CID14261267
Molecular FormulaC14H16O7
Molecular Weight296.28 g/mol
Exact Mass296.09
IUPAC Name[2,3-diacetyloxy-5-(methoxymethyl)phenyl] acetate
SMILESCOCc1cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c1
InChIInChI=1S/C14H16O7/c1-8(15)19-12-5-11(7-18-4)6-13(20-9(2)16)14(12)21-10(3)17/h5-6H,7H2,1-4H3
InChIKeyCAHWHTZJKRNHIT-UHFFFAOYSA-N
XLogP1.61
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(3,4,5-triacetyloxyphenyl) acetate
CID 15689628
methyl 3,4,5-triacetyloxybenzoate
CID 10924932
2-(3,4-diacetyloxy-5-chlorophenyl)acetic acid
CID 70526780
(2,3-diacetyloxy-5-ethenylphenyl) acetate
CID 54549973
[3,5-diacetyloxy-4-[3,5-diacetyloxy-4-[3,5-diacetyloxy-4-(3,4,5-triacetyloxyphenoxy)phenoxy]phenoxy]phenyl] acetate
CID 15689630
3-(4-acetyloxy-3,5-dimethoxyphenyl)-2-aminopropanoic acid
CID 170879558
(2,4,6-trimethoxyphenyl) acetate
CID 68597137
[2,3-diacetyloxy-5-(methylcarbamoyl)phenyl] acetate
CID 23335105
[2-acetyloxy-5-prop-2-enyl-3-(4-prop-2-enylphenoxy)phenyl] acetate
CID 23259954
(2-acetyloxy-3-methoxyphenyl) acetate
CID 11564821
(4-acetyloxy-7-ethyl-3-methoxynaphthalen-1-yl) acetate
CID 19872956
[2-methoxy-4-(methoxymethyl)phenyl] 2-oxopropanoate
CID 118441123

Frequently Asked Questions

What is the IUPAC name of [2,3-diacetyloxy-5-(methoxymethyl)phenyl] acetate?
The IUPAC name of [2,3-diacetyloxy-5-(methoxymethyl)phenyl] acetate (CID 14261267) is [2,3-diacetyloxy-5-(methoxymethyl)phenyl] acetate.
What is the SMILES notation for [2,3-diacetyloxy-5-(methoxymethyl)phenyl] acetate?
The canonical SMILES for [2,3-diacetyloxy-5-(methoxymethyl)phenyl] acetate is COCc1cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c1.
What is the InChIKey of [2,3-diacetyloxy-5-(methoxymethyl)phenyl] acetate?
The InChIKey is CAHWHTZJKRNHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O7/c1-8(15)19-12-5-11(7-18-4)6-13(20-9(2)16)14(12)21-10(3)17/h5-6H,7H2,1-4H3.
What are the key properties of [2,3-diacetyloxy-5-(methoxymethyl)phenyl] acetate?
[2,3-diacetyloxy-5-(methoxymethyl)phenyl] acetate has a molecular weight of 296.28 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-diacetyloxy-5-(methoxymethyl)phenyl] acetate is sourced from PubChem (CID 14261267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).