(2,3-dimethylphenyl) 2-(4-methoxyphenoxy)acetate

C17H18O4 — CID 4927357

IUPAC(2,3-dimethylphenyl) 2-(4-methoxyphenoxy)acetate
SMILESCOc1ccc(OCC(=O)Oc2cccc(C)c2C)cc1
InChIInChI=1S/C17H18O4/c1-12-5-4-6-16(13(12)2)21-17(18)11-20-15-9-7-14(19-3)8-10-15/h4-10H,11H2,1-3H3
InChIKeyFULAHLUHLZOAQM-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.30
Rot. Bonds5

About (2,3-dimethylphenyl) 2-(4-methoxyphenoxy)acetate

(2,3-dimethylphenyl) 2-(4-methoxyphenoxy)acetate (PubChem CID 4927357) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is (2,3-dimethylphenyl) 2-(4-methoxyphenoxy)acetate.

Molecular Properties

Compound Name(2,3-dimethylphenyl) 2-(4-methoxyphenoxy)acetate
PubChem CID4927357
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name(2,3-dimethylphenyl) 2-(4-methoxyphenoxy)acetate
SMILESCOc1ccc(OCC(=O)Oc2cccc(C)c2C)cc1
InChIInChI=1S/C17H18O4/c1-12-5-4-6-16(13(12)2)21-17(18)11-20-15-9-7-14(19-3)8-10-15/h4-10H,11H2,1-3H3
InChIKeyFULAHLUHLZOAQM-UHFFFAOYSA-N
XLogP3.30
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

naphthalen-1-yl 2-(4-methoxyphenoxy)acetate
CID 7913820
(2-chlorophenyl) 2-(4-methoxyphenoxy)acetate
CID 733471
[4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(2,3-dimethylphenoxy)acetate
CID 19180132
4-O-(2,3-dimethylphenyl) 1-O-methyl butanedioate
CID 94263255
(2-methylphenyl) 2-(4-ethylphenoxy)acetate
CID 19178987
2-(2,3-dimethylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 720608
(2-methoxyphenyl) 2-(4-bromophenoxy)acetate
CID 78777315
(2,3-dimethylphenyl) 4-(2-methoxyethoxy)benzoate
CID 23012904
bis(2,3-dimethylphenyl) decanedioate
CID 91711524
(4-methoxyphenyl) 2-(4-hydroxyphenoxy)acetate
CID 167287233
2-(2,3-dimethylphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 2711623
[3-[(E)-2-cyano-2-(4-methoxyphenyl)ethenyl]phenyl] 2-(2,3-dimethylphenoxy)acetate
CID 39115578

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylphenyl) 2-(4-methoxyphenoxy)acetate?
The IUPAC name of (2,3-dimethylphenyl) 2-(4-methoxyphenoxy)acetate (CID 4927357) is (2,3-dimethylphenyl) 2-(4-methoxyphenoxy)acetate.
What is the SMILES notation for (2,3-dimethylphenyl) 2-(4-methoxyphenoxy)acetate?
The canonical SMILES for (2,3-dimethylphenyl) 2-(4-methoxyphenoxy)acetate is COc1ccc(OCC(=O)Oc2cccc(C)c2C)cc1.
What is the InChIKey of (2,3-dimethylphenyl) 2-(4-methoxyphenoxy)acetate?
The InChIKey is FULAHLUHLZOAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-12-5-4-6-16(13(12)2)21-17(18)11-20-15-9-7-14(19-3)8-10-15/h4-10H,11H2,1-3H3.
What are the key properties of (2,3-dimethylphenyl) 2-(4-methoxyphenoxy)acetate?
(2,3-dimethylphenyl) 2-(4-methoxyphenoxy)acetate has a molecular weight of 286.33 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylphenyl) 2-(4-methoxyphenoxy)acetate is sourced from PubChem (CID 4927357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).