(3,4-dimethylphenyl) 2-(2-propan-2-ylphenoxy)acetate

C19H22O3 — CID 19179416

IUPAC(3,4-dimethylphenyl) 2-(2-propan-2-ylphenoxy)acetate
SMILESCc1ccc(OC(=O)COc2ccccc2C(C)C)cc1C
InChIInChI=1S/C19H22O3/c1-13(2)17-7-5-6-8-18(17)21-12-19(20)22-16-10-9-14(3)15(4)11-16/h5-11,13H,12H2,1-4H3
InChIKeyYNJRYKPMSHSYQO-UHFFFAOYSA-N
MW298.38 g/mol
LogP4.41
Rot. Bonds5

About (3,4-dimethylphenyl) 2-(2-propan-2-ylphenoxy)acetate

(3,4-dimethylphenyl) 2-(2-propan-2-ylphenoxy)acetate (PubChem CID 19179416) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is (3,4-dimethylphenyl) 2-(2-propan-2-ylphenoxy)acetate.

Molecular Properties

Compound Name(3,4-dimethylphenyl) 2-(2-propan-2-ylphenoxy)acetate
PubChem CID19179416
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name(3,4-dimethylphenyl) 2-(2-propan-2-ylphenoxy)acetate
SMILESCc1ccc(OC(=O)COc2ccccc2C(C)C)cc1C
InChIInChI=1S/C19H22O3/c1-13(2)17-7-5-6-8-18(17)21-12-19(20)22-16-10-9-14(3)15(4)11-16/h5-11,13H,12H2,1-4H3
InChIKeyYNJRYKPMSHSYQO-UHFFFAOYSA-N
XLogP4.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 54.41
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

[4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 2-(2-propan-2-ylphenoxy)acetate
CID 19180243
propan-2-yl 4-[2-(2-propan-2-ylphenoxy)acetyl]oxybenzoate
CID 17160818
(2-chlorophenyl) 2-(2-propan-2-ylphenoxy)acetate
CID 19179422
(2-propan-2-ylphenyl) 2-(2,4-dibromo-6-methylphenoxy)acetate
CID 23011034
[4-(2,2-dicyanoethenyl)phenyl] 2-(2-propan-2-ylphenoxy)acetate
CID 19218392
5-bromo-2-[2-(2-propan-2-ylphenoxy)acetyl]oxybenzoic acid
CID 54854378
naphthalen-2-yl 2-(2-methoxyphenoxy)acetate
CID 7926826
(3,4-dimethylphenyl) 2-[4-(4-methylphenyl)phenoxy]acetate
CID 19180769
2-phenylethyl 4-[2-(2-propan-2-ylphenoxy)acetyl]oxybenzoate
CID 17143079
(3,5-dimethylphenyl) 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 680450
(2-bromo-4-phenylphenyl) 2-(2-propan-2-ylphenoxy)acetate
CID 19179427
(3,4-dimethylphenyl) 2-(4-chloro-3-methylphenoxy)acetate
CID 19167643

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl) 2-(2-propan-2-ylphenoxy)acetate?
The IUPAC name of (3,4-dimethylphenyl) 2-(2-propan-2-ylphenoxy)acetate (CID 19179416) is (3,4-dimethylphenyl) 2-(2-propan-2-ylphenoxy)acetate.
What is the SMILES notation for (3,4-dimethylphenyl) 2-(2-propan-2-ylphenoxy)acetate?
The canonical SMILES for (3,4-dimethylphenyl) 2-(2-propan-2-ylphenoxy)acetate is Cc1ccc(OC(=O)COc2ccccc2C(C)C)cc1C.
What is the InChIKey of (3,4-dimethylphenyl) 2-(2-propan-2-ylphenoxy)acetate?
The InChIKey is YNJRYKPMSHSYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3/c1-13(2)17-7-5-6-8-18(17)21-12-19(20)22-16-10-9-14(3)15(4)11-16/h5-11,13H,12H2,1-4H3.
What are the key properties of (3,4-dimethylphenyl) 2-(2-propan-2-ylphenoxy)acetate?
(3,4-dimethylphenyl) 2-(2-propan-2-ylphenoxy)acetate has a molecular weight of 298.38 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl) 2-(2-propan-2-ylphenoxy)acetate is sourced from PubChem (CID 19179416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).