(3,5-dimethoxyphenyl) 2-(5-methyl-2-propan-2-ylphenoxy)acetate

C20H24O5 — CID 8758790

IUPAC(3,5-dimethoxyphenyl) 2-(5-methyl-2-propan-2-ylphenoxy)acetate
SMILESCOc1cc(OC)cc(OC(=O)COc2cc(C)ccc2C(C)C)c1
InChIInChI=1S/C20H24O5/c1-13(2)18-7-6-14(3)8-19(18)24-12-20(21)25-17-10-15(22-4)9-16(11-17)23-5/h6-11,13H,12H2,1-5H3
InChIKeyASRZEVHKWIQTRV-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.12
Rot. Bonds7

About (3,5-dimethoxyphenyl) 2-(5-methyl-2-propan-2-ylphenoxy)acetate

(3,5-dimethoxyphenyl) 2-(5-methyl-2-propan-2-ylphenoxy)acetate (PubChem CID 8758790) has the molecular formula C20H24O5 and a molecular weight of 344.41 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl) 2-(5-methyl-2-propan-2-ylphenoxy)acetate.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl) 2-(5-methyl-2-propan-2-ylphenoxy)acetate
PubChem CID8758790
Molecular FormulaC20H24O5
Molecular Weight344.41 g/mol
Exact Mass344.16
IUPAC Name(3,5-dimethoxyphenyl) 2-(5-methyl-2-propan-2-ylphenoxy)acetate
SMILESCOc1cc(OC)cc(OC(=O)COc2cc(C)ccc2C(C)C)c1
InChIInChI=1S/C20H24O5/c1-13(2)18-7-6-14(3)8-19(18)24-12-20(21)25-17-10-15(22-4)9-16(11-17)23-5/h6-11,13H,12H2,1-5H3
InChIKeyASRZEVHKWIQTRV-UHFFFAOYSA-N
XLogP4.12
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.12
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

(3,5-dimethylphenyl) 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 680450
propan-2-yl 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 54941393
methyl 4-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]oxybenzoate
CID 7761368
N-(3,5-dimethoxyphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 26218545
N-[(3,5-dimethoxyphenyl)methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 46411942
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 7839402
methyl 3-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]oxybenzoate
CID 7751819
3-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]oxybenzoic acid
CID 54854693
5-bromo-2-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]oxybenzoic acid
CID 54854469
2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 681895
N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)-N-propan-2-ylacetamide
CID 86907722
2-(3-methoxyphenyl)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide
CID 35001950

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxyphenyl) 2-(5-methyl-2-propan-2-ylphenoxy)acetate?
The IUPAC name of (3,5-dimethoxyphenyl) 2-(5-methyl-2-propan-2-ylphenoxy)acetate (CID 8758790) is (3,5-dimethoxyphenyl) 2-(5-methyl-2-propan-2-ylphenoxy)acetate.
What is the SMILES notation for (3,5-dimethoxyphenyl) 2-(5-methyl-2-propan-2-ylphenoxy)acetate?
The canonical SMILES for (3,5-dimethoxyphenyl) 2-(5-methyl-2-propan-2-ylphenoxy)acetate is COc1cc(OC)cc(OC(=O)COc2cc(C)ccc2C(C)C)c1.
What is the InChIKey of (3,5-dimethoxyphenyl) 2-(5-methyl-2-propan-2-ylphenoxy)acetate?
The InChIKey is ASRZEVHKWIQTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O5/c1-13(2)18-7-6-14(3)8-19(18)24-12-20(21)25-17-10-15(22-4)9-16(11-17)23-5/h6-11,13H,12H2,1-5H3.
What are the key properties of (3,5-dimethoxyphenyl) 2-(5-methyl-2-propan-2-ylphenoxy)acetate?
(3,5-dimethoxyphenyl) 2-(5-methyl-2-propan-2-ylphenoxy)acetate has a molecular weight of 344.41 g/mol, XLogP of 4.12, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxyphenyl) 2-(5-methyl-2-propan-2-ylphenoxy)acetate is sourced from PubChem (CID 8758790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).