(3-methyloxetan-3-yl)methyl 2-phenylmethoxyacetate

C14H18O4 — CID 164728573

IUPAC(3-methyloxetan-3-yl)methyl 2-phenylmethoxyacetate
SMILESCC1(COC(=O)COCc2ccccc2)COC1
InChIInChI=1S/C14H18O4/c1-14(9-17-10-14)11-18-13(15)8-16-7-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3
InChIKeyGHSUTLDBXOADFY-UHFFFAOYSA-N
MW250.29 g/mol
LogP1.78
Rot. Bonds6

About (3-methyloxetan-3-yl)methyl 2-phenylmethoxyacetate

(3-methyloxetan-3-yl)methyl 2-phenylmethoxyacetate (PubChem CID 164728573) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is (3-methyloxetan-3-yl)methyl 2-phenylmethoxyacetate.

Molecular Properties

Compound Name(3-methyloxetan-3-yl)methyl 2-phenylmethoxyacetate
PubChem CID164728573
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name(3-methyloxetan-3-yl)methyl 2-phenylmethoxyacetate
SMILESCC1(COC(=O)COCc2ccccc2)COC1
InChIInChI=1S/C14H18O4/c1-14(9-17-10-14)11-18-13(15)8-16-7-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3
InChIKeyGHSUTLDBXOADFY-UHFFFAOYSA-N
XLogP1.78
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methyloxetan-3-yl)methyl 4-phenylbutanoate
CID 13123200
(3-methyloxetan-3-yl)methyl (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 25193791
(5-methyl-2-oxo-1,3-dioxan-5-yl)methyl 3-phenylpropanoate
CID 58498505
5-methyl-5-(phenylmethoxymethyl)-1,3-dioxane-2-thione
CID 101226498
ethyl 2-[[(4R,5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methoxy]acetate
CID 102115642
ethane;(3-methyloxetan-3-yl)methyl 2-methylbenzoate
CID 142830162
2-methyl-2-(phenylmethoxymethyl)oxirane
CID 4613554
(3-methyloxetan-3-yl)methyl 2-(5-methyl-1-phenylpyrazol-4-yl)acetate
CID 164973700
[3-(hydroxymethyl)oxetan-3-yl]methanol;[3-(phenylmethoxymethyl)oxetan-3-yl]methanol
CID 159973315
3-ethyl-3-(phenylmethoxymethyl)oxetane
CID 22066200
benzyl 4,4-dimethyl-1,3-oxazolidine-3-carboxylate
CID 110740655
5,5-dimethylhexyl 2-phenylmethoxyacetate
CID 138647452

Frequently Asked Questions

What is the IUPAC name of (3-methyloxetan-3-yl)methyl 2-phenylmethoxyacetate?
The IUPAC name of (3-methyloxetan-3-yl)methyl 2-phenylmethoxyacetate (CID 164728573) is (3-methyloxetan-3-yl)methyl 2-phenylmethoxyacetate.
What is the SMILES notation for (3-methyloxetan-3-yl)methyl 2-phenylmethoxyacetate?
The canonical SMILES for (3-methyloxetan-3-yl)methyl 2-phenylmethoxyacetate is CC1(COC(=O)COCc2ccccc2)COC1.
What is the InChIKey of (3-methyloxetan-3-yl)methyl 2-phenylmethoxyacetate?
The InChIKey is GHSUTLDBXOADFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-14(9-17-10-14)11-18-13(15)8-16-7-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3.
What are the key properties of (3-methyloxetan-3-yl)methyl 2-phenylmethoxyacetate?
(3-methyloxetan-3-yl)methyl 2-phenylmethoxyacetate has a molecular weight of 250.29 g/mol, XLogP of 1.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyloxetan-3-yl)methyl 2-phenylmethoxyacetate is sourced from PubChem (CID 164728573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).