methyl 2-[3-(phenylmethoxymethyl)cyclobutyl]acetate

C15H20O3 — CID 59252300

IUPACmethyl 2-[3-(phenylmethoxymethyl)cyclobutyl]acetate
SMILESCOC(=O)CC1CC(COCc2ccccc2)C1
InChIInChI=1S/C15H20O3/c1-17-15(16)9-13-7-14(8-13)11-18-10-12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3
InChIKeyOENWZMWVNPQOBO-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.79
Rot. Bonds6

About methyl 2-[3-(phenylmethoxymethyl)cyclobutyl]acetate

methyl 2-[3-(phenylmethoxymethyl)cyclobutyl]acetate (PubChem CID 59252300) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is methyl 2-[3-(phenylmethoxymethyl)cyclobutyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(phenylmethoxymethyl)cyclobutyl]acetate
PubChem CID59252300
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Namemethyl 2-[3-(phenylmethoxymethyl)cyclobutyl]acetate
SMILESCOC(=O)CC1CC(COCc2ccccc2)C1
InChIInChI=1S/C15H20O3/c1-17-15(16)9-13-7-14(8-13)11-18-10-12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3
InChIKeyOENWZMWVNPQOBO-UHFFFAOYSA-N
XLogP2.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[5-(phenylmethoxymethyl)oxolan-2-yl]acetate
CID 72501445
4-(phenylmethoxymethyl)cyclopentane-1,2-diol
CID 12717277
methyl (2S,5R)-5-(phenylmethoxymethyl)piperidine-2-carboxylate
CID 159350997
methyl 2-[(2R,3R,4S,5R,6R)-5-hydroxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]acetate
CID 126561419
2-[3-(phenylmethoxymethyl)cyclobutyl]oxyacetic acid
CID 155437936
1-[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]propan-2-one
CID 177494460
methyl 5-(phenylmethoxymethyl)piperidine-2-carboxylate;hydrochloride
CID 171364018
trans-(1R,2R)-4-(phenylmethoxymethyl)cyclopentane-1,2-diamine
CID 57481680
(3-propan-2-yloxycyclobutyl)methoxymethylbenzene
CID 160749410
1-(methylamino)-3-(phenylmethoxymethyl)cyclobutane-1-carboxylic acid
CID 58601842
methyl 2-[(2S,3S,4R,5R,6R)-6-(aminomethyl)-3,4,5-tris(phenylmethoxy)oxan-2-yl]acetate
CID 11145593
methyl (2S,3R)-3-(phenylmethoxymethyl)oxirane-2-carboxylate
CID 101113540

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(phenylmethoxymethyl)cyclobutyl]acetate?
The IUPAC name of methyl 2-[3-(phenylmethoxymethyl)cyclobutyl]acetate (CID 59252300) is methyl 2-[3-(phenylmethoxymethyl)cyclobutyl]acetate.
What is the SMILES notation for methyl 2-[3-(phenylmethoxymethyl)cyclobutyl]acetate?
The canonical SMILES for methyl 2-[3-(phenylmethoxymethyl)cyclobutyl]acetate is COC(=O)CC1CC(COCc2ccccc2)C1.
What is the InChIKey of methyl 2-[3-(phenylmethoxymethyl)cyclobutyl]acetate?
The InChIKey is OENWZMWVNPQOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-17-15(16)9-13-7-14(8-13)11-18-10-12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3.
What are the key properties of methyl 2-[3-(phenylmethoxymethyl)cyclobutyl]acetate?
methyl 2-[3-(phenylmethoxymethyl)cyclobutyl]acetate has a molecular weight of 248.32 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(phenylmethoxymethyl)cyclobutyl]acetate is sourced from PubChem (CID 59252300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).