methyl 2-(4-phenylmethoxyphenyl)acetate

C16H16O3 — CID 2756645

IUPACmethyl 2-(4-phenylmethoxyphenyl)acetate
SMILESCOC(=O)Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C16H16O3/c1-18-16(17)11-13-7-9-15(10-8-13)19-12-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
InChIKeyOUWFDISHMBDYON-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.98
Rot. Bonds5

About methyl 2-(4-phenylmethoxyphenyl)acetate

methyl 2-(4-phenylmethoxyphenyl)acetate (PubChem CID 2756645) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is methyl 2-(4-phenylmethoxyphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-phenylmethoxyphenyl)acetate
PubChem CID2756645
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Namemethyl 2-(4-phenylmethoxyphenyl)acetate
SMILESCOC(=O)Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C16H16O3/c1-18-16(17)11-13-7-9-15(10-8-13)19-12-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
InChIKeyOUWFDISHMBDYON-UHFFFAOYSA-N
XLogP2.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[2-[[(4-phenylmethoxyphenyl)methylamino]methyl]phenyl]acetate
CID 176907071
propan-2-yl 2-(4-phenylmethoxyphenyl)acetate
CID 82550165
CID 172801156
CID 172801156
methyl 2-[4-(pyridin-2-ylmethoxy)phenyl]acetate
CID 23549386
methyl 3-(4-phenylmethoxyphenyl)propanoate;3-(4-phenylmethoxyphenyl)propanoic acid
CID 161360857
methyl hypoiodite;methyl 3-(4-phenylmethoxyphenyl)propanoate
CID 142194241
3-oxo-4-(4-phenylmethoxyphenyl)butanoic acid
CID 143233810
bis[(4-phenylmethoxyphenyl)methyl] propanedioate
CID 57028067
2-oxo-3-(4-phenylmethoxyphenyl)propanoic acid
CID 563772
carbon dioxide;methyl 2-phenylacetate
CID 159198536
methyl 3-oxo-3-(4-phenylmethoxyanilino)propanoate
CID 28638020
2-(4-methoxyphenyl)-1-(4-phenylmethoxyphenyl)ethanone
CID 18923783

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-phenylmethoxyphenyl)acetate?
The IUPAC name of methyl 2-(4-phenylmethoxyphenyl)acetate (CID 2756645) is methyl 2-(4-phenylmethoxyphenyl)acetate.
What is the SMILES notation for methyl 2-(4-phenylmethoxyphenyl)acetate?
The canonical SMILES for methyl 2-(4-phenylmethoxyphenyl)acetate is COC(=O)Cc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of methyl 2-(4-phenylmethoxyphenyl)acetate?
The InChIKey is OUWFDISHMBDYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-18-16(17)11-13-7-9-15(10-8-13)19-12-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3.
What are the key properties of methyl 2-(4-phenylmethoxyphenyl)acetate?
methyl 2-(4-phenylmethoxyphenyl)acetate has a molecular weight of 256.30 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-phenylmethoxyphenyl)acetate is sourced from PubChem (CID 2756645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).