(2-methylphenyl) 2-(2,3,5-trimethylphenoxy)acetate

C18H20O3 — CID 19179491

IUPAC(2-methylphenyl) 2-(2,3,5-trimethylphenoxy)acetate
SMILESCc1cc(C)c(C)c(OCC(=O)Oc2ccccc2C)c1
InChIInChI=1S/C18H20O3/c1-12-9-14(3)15(4)17(10-12)20-11-18(19)21-16-8-6-5-7-13(16)2/h5-10H,11H2,1-4H3
InChIKeyBTJQFLKKRLGAHV-UHFFFAOYSA-N
MW284.35 g/mol
LogP3.90
Rot. Bonds4

About (2-methylphenyl) 2-(2,3,5-trimethylphenoxy)acetate

(2-methylphenyl) 2-(2,3,5-trimethylphenoxy)acetate (PubChem CID 19179491) has the molecular formula C18H20O3 and a molecular weight of 284.35 g/mol. Its IUPAC name is (2-methylphenyl) 2-(2,3,5-trimethylphenoxy)acetate.

Molecular Properties

Compound Name(2-methylphenyl) 2-(2,3,5-trimethylphenoxy)acetate
PubChem CID19179491
Molecular FormulaC18H20O3
Molecular Weight284.35 g/mol
Exact Mass284.14
IUPAC Name(2-methylphenyl) 2-(2,3,5-trimethylphenoxy)acetate
SMILESCc1cc(C)c(C)c(OCC(=O)Oc2ccccc2C)c1
InChIInChI=1S/C18H20O3/c1-12-9-14(3)15(4)17(10-12)20-11-18(19)21-16-8-6-5-7-13(16)2/h5-10H,11H2,1-4H3
InChIKeyBTJQFLKKRLGAHV-UHFFFAOYSA-N
XLogP3.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 53.90
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

N-[1-(2-methylphenoxy)propan-2-yl]-2-(2,3,5-trimethylphenoxy)acetamide
CID 132652265
(4-chloro-2-methylphenyl) 2-(2-methylphenoxy)acetate
CID 19172654
(2-acetylphenyl) 2-(2-methylphenoxy)acetate
CID 15211367
[[amino(pyridin-1-ium-2-yl)methylidene]amino] 2-(2,3,5-trimethylphenoxy)acetate
CID 135468783
[4-[4-[2-(2-methylphenoxy)acetyl]oxyphenyl]phenyl] 2-(2-methylphenoxy)acetate
CID 2180640
(2-methylphenyl) 2-(4-ethylphenoxy)acetate
CID 19178987
(2,3-dimethylphenyl) 2-(4-bromo-2-chlorophenoxy)acetate
CID 2235068
2-[(2-methylphenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 132663822
[4-[(2,4-dimethylphenyl)carbamoyl]phenyl] 2-(2,3,5-trimethylphenoxy)acetate
CID 19180367
(2,4,6-trimethylphenyl) 2-(2-cyanophenoxy)acetate
CID 8915413
[4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 2-(2,3,5-trimethylphenoxy)acetate
CID 19180365
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-(2,3-dimethylphenoxy)acetate
CID 7982127

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl) 2-(2,3,5-trimethylphenoxy)acetate?
The IUPAC name of (2-methylphenyl) 2-(2,3,5-trimethylphenoxy)acetate (CID 19179491) is (2-methylphenyl) 2-(2,3,5-trimethylphenoxy)acetate.
What is the SMILES notation for (2-methylphenyl) 2-(2,3,5-trimethylphenoxy)acetate?
The canonical SMILES for (2-methylphenyl) 2-(2,3,5-trimethylphenoxy)acetate is Cc1cc(C)c(C)c(OCC(=O)Oc2ccccc2C)c1.
What is the InChIKey of (2-methylphenyl) 2-(2,3,5-trimethylphenoxy)acetate?
The InChIKey is BTJQFLKKRLGAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-12-9-14(3)15(4)17(10-12)20-11-18(19)21-16-8-6-5-7-13(16)2/h5-10H,11H2,1-4H3.
What are the key properties of (2-methylphenyl) 2-(2,3,5-trimethylphenoxy)acetate?
(2-methylphenyl) 2-(2,3,5-trimethylphenoxy)acetate has a molecular weight of 284.35 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl) 2-(2,3,5-trimethylphenoxy)acetate is sourced from PubChem (CID 19179491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).