methyl 2-[4-(4-methylphenyl)phenoxy]acetate

C16H16O3 — CID 2791912

IUPACmethyl 2-[4-(4-methylphenyl)phenoxy]acetate
SMILESCOC(=O)COc1ccc(-c2ccc(C)cc2)cc1
InChIInChI=1S/C16H16O3/c1-12-3-5-13(6-4-12)14-7-9-15(10-8-14)19-11-16(17)18-2/h3-10H,11H2,1-2H3
InChIKeyCHERZMAZXBLPAP-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.21
Rot. Bonds4

About methyl 2-[4-(4-methylphenyl)phenoxy]acetate

methyl 2-[4-(4-methylphenyl)phenoxy]acetate (PubChem CID 2791912) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is methyl 2-[4-(4-methylphenyl)phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(4-methylphenyl)phenoxy]acetate
PubChem CID2791912
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Namemethyl 2-[4-(4-methylphenyl)phenoxy]acetate
SMILESCOC(=O)COc1ccc(-c2ccc(C)cc2)cc1
InChIInChI=1S/C16H16O3/c1-12-3-5-13(6-4-12)14-7-9-15(10-8-14)19-11-16(17)18-2/h3-10H,11H2,1-2H3
InChIKeyCHERZMAZXBLPAP-UHFFFAOYSA-N
XLogP3.21
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[4-(2-methoxy-2-oxoethoxy)phenyl]phenyl]azanium chloride
CID 68860648
2-[2-(4-methylphenoxy)acetyl]oxyethyl 2-(4-methylphenoxy)acetate
CID 90306782
methyl 2-(4-sulfanylphenoxy)acetate
CID 20770833
methyl 2-(4-fluorophenoxy)acetate
CID 580550
(3,4-dimethylphenyl) 2-[4-(4-methylphenyl)phenoxy]acetate
CID 19180769
methyl 2-[4-(iodomethyl)phenoxy]acetate
CID 89385998
methyl 2-[4-[1,1-bis[4-(2-methoxy-2-oxoethoxy)phenyl]ethyl]phenoxy]acetate
CID 11519263
methyl 2-[4-(2H-tetrazol-5-yl)phenoxy]acetate
CID 59205718
methyl 2-[3-[5-(4-methylphenoxy)pentoxy]propoxy]acetate
CID 168969969
methyl 2-pyridin-4-yloxyacetate
CID 90026078
methyl 2-[4-(1-hydroxyethyl)phenoxy]acetate
CID 43503745
methyl 2-(4-propylphenoxy)acetate
CID 19911850

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(4-methylphenyl)phenoxy]acetate?
The IUPAC name of methyl 2-[4-(4-methylphenyl)phenoxy]acetate (CID 2791912) is methyl 2-[4-(4-methylphenyl)phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-(4-methylphenyl)phenoxy]acetate?
The canonical SMILES for methyl 2-[4-(4-methylphenyl)phenoxy]acetate is COC(=O)COc1ccc(-c2ccc(C)cc2)cc1.
What is the InChIKey of methyl 2-[4-(4-methylphenyl)phenoxy]acetate?
The InChIKey is CHERZMAZXBLPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-12-3-5-13(6-4-12)14-7-9-15(10-8-14)19-11-16(17)18-2/h3-10H,11H2,1-2H3.
What are the key properties of methyl 2-[4-(4-methylphenyl)phenoxy]acetate?
methyl 2-[4-(4-methylphenyl)phenoxy]acetate has a molecular weight of 256.30 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(4-methylphenyl)phenoxy]acetate is sourced from PubChem (CID 2791912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).