[2-acetyloxy-4-[(2,6-dimethylphenoxy)methyl]phenyl] acetate

C19H20O5 — CID 141220884

IUPAC[2-acetyloxy-4-[(2,6-dimethylphenoxy)methyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(COc2c(C)cccc2C)cc1OC(C)=O
InChIInChI=1S/C19H20O5/c1-12-6-5-7-13(2)19(12)22-11-16-8-9-17(23-14(3)20)18(10-16)24-15(4)21/h5-10H,11H2,1-4H3
InChIKeyHYGYGDZPXAAOBR-UHFFFAOYSA-N
MW328.36 g/mol
LogP3.73
Rot. Bonds5

About [2-acetyloxy-4-[(2,6-dimethylphenoxy)methyl]phenyl] acetate

[2-acetyloxy-4-[(2,6-dimethylphenoxy)methyl]phenyl] acetate (PubChem CID 141220884) has the molecular formula C19H20O5 and a molecular weight of 328.36 g/mol. Its IUPAC name is [2-acetyloxy-4-[(2,6-dimethylphenoxy)methyl]phenyl] acetate.

Molecular Properties

Compound Name[2-acetyloxy-4-[(2,6-dimethylphenoxy)methyl]phenyl] acetate
PubChem CID141220884
Molecular FormulaC19H20O5
Molecular Weight328.36 g/mol
Exact Mass328.13
IUPAC Name[2-acetyloxy-4-[(2,6-dimethylphenoxy)methyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(COc2c(C)cccc2C)cc1OC(C)=O
InChIInChI=1S/C19H20O5/c1-12-6-5-7-13(2)19(12)22-11-16-8-9-17(23-14(3)20)18(10-16)24-15(4)21/h5-10H,11H2,1-4H3
InChIKeyHYGYGDZPXAAOBR-UHFFFAOYSA-N
XLogP3.73
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-methyl-6-phenylmethoxyphenyl) acetate
CID 67719682
[2-acetyloxy-4-(2-hydroxyethyl)phenyl] acetate
CID 11694368
[2-acetyloxy-4-[2-(methylamino)-2-oxoethyl]phenyl] acetate
CID 139641556
tris[2-(3,4-diacetyloxyphenyl)ethyl]selanium
CID 71489018
bis[(4-acetyloxy-3-methylphenyl)methoxy]-oxophosphanium
CID 174479530
4-[(2,6-dimethylphenoxy)methyl]benzohydrazide
CID 7174125
diethyl 3-acetyloxy-4-[[3-[[4-acetyloxy-2,5-bis(ethoxycarbonyl)thiophen-3-yl]oxymethyl]phenyl]methoxy]thiophene-2,5-dicarboxylate
CID 132548974
phenyl 4-[(2,6-dimethylphenoxy)methyl]benzoate
CID 925914
benzene;[3-[(2,6-dimethylphenoxy)methyl]-4-formylphenyl] acetate
CID 87367032
(4-fluoro-3-methyl-2-phenylmethoxyphenyl) acetate
CID 122531326
1-(bromomethyl)-2-[(3,4-dimethoxyphenyl)methoxy]-3-methylbenzene
CID 115956901
(3-methyl-4-phenylmethoxyphenyl) acetate
CID 129245175

Frequently Asked Questions

What is the IUPAC name of [2-acetyloxy-4-[(2,6-dimethylphenoxy)methyl]phenyl] acetate?
The IUPAC name of [2-acetyloxy-4-[(2,6-dimethylphenoxy)methyl]phenyl] acetate (CID 141220884) is [2-acetyloxy-4-[(2,6-dimethylphenoxy)methyl]phenyl] acetate.
What is the SMILES notation for [2-acetyloxy-4-[(2,6-dimethylphenoxy)methyl]phenyl] acetate?
The canonical SMILES for [2-acetyloxy-4-[(2,6-dimethylphenoxy)methyl]phenyl] acetate is CC(=O)Oc1ccc(COc2c(C)cccc2C)cc1OC(C)=O.
What is the InChIKey of [2-acetyloxy-4-[(2,6-dimethylphenoxy)methyl]phenyl] acetate?
The InChIKey is HYGYGDZPXAAOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O5/c1-12-6-5-7-13(2)19(12)22-11-16-8-9-17(23-14(3)20)18(10-16)24-15(4)21/h5-10H,11H2,1-4H3.
What are the key properties of [2-acetyloxy-4-[(2,6-dimethylphenoxy)methyl]phenyl] acetate?
[2-acetyloxy-4-[(2,6-dimethylphenoxy)methyl]phenyl] acetate has a molecular weight of 328.36 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-acetyloxy-4-[(2,6-dimethylphenoxy)methyl]phenyl] acetate is sourced from PubChem (CID 141220884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).