3-(phenylmethoxymethyl)cyclobutan-1-one

C12H14O2 — CID 11819850

IUPAC3-(phenylmethoxymethyl)cyclobutan-1-one
SMILESO=C1CC(COCc2ccccc2)C1
InChIInChI=1S/C12H14O2/c13-12-6-11(7-12)9-14-8-10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKeyFHBBBGYOVFMVIB-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.18
Rot. Bonds4

About 3-(phenylmethoxymethyl)cyclobutan-1-one

3-(phenylmethoxymethyl)cyclobutan-1-one (PubChem CID 11819850) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 3-(phenylmethoxymethyl)cyclobutan-1-one.

Molecular Properties

Compound Name3-(phenylmethoxymethyl)cyclobutan-1-one
PubChem CID11819850
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name3-(phenylmethoxymethyl)cyclobutan-1-one
SMILESO=C1CC(COCc2ccccc2)C1
InChIInChI=1S/C12H14O2/c13-12-6-11(7-12)9-14-8-10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKeyFHBBBGYOVFMVIB-UHFFFAOYSA-N
XLogP2.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 100982245
5-(phenylmethoxymethyl)cyclooctan-1-one
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4-(phenylmethoxymethyl)pyrrolidin-2-one
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(5S)-5-(phenylmethoxymethyl)oxolan-3-one
CID 168857190
4-(phenylmethoxymethyl)cyclopentane-1,2-diol
CID 12717277
cis-(1R,3S)-3-(phenylmethoxymethyl)cyclopentan-1-amine
CID 86659751
2-phenylmethoxy-5-(phenylmethoxymethyl)cyclohexan-1-one
CID 141134991
(3aR,6aS)-5-hydroxy-4-(phenylmethoxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-one
CID 22828466
2-(cyclopropylmethoxy)ethoxymethylbenzene
CID 54083813
(3aS,6R,7aS)-6-(phenylmethoxymethyl)-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran-2-one
CID 23254450
(1R,3R)-2-(phenylmethoxymethyl)-1,3-dithiolane 1,3-dioxide
CID 15856736

Frequently Asked Questions

What is the IUPAC name of 3-(phenylmethoxymethyl)cyclobutan-1-one?
The IUPAC name of 3-(phenylmethoxymethyl)cyclobutan-1-one (CID 11819850) is 3-(phenylmethoxymethyl)cyclobutan-1-one.
What is the SMILES notation for 3-(phenylmethoxymethyl)cyclobutan-1-one?
The canonical SMILES for 3-(phenylmethoxymethyl)cyclobutan-1-one is O=C1CC(COCc2ccccc2)C1.
What is the InChIKey of 3-(phenylmethoxymethyl)cyclobutan-1-one?
The InChIKey is FHBBBGYOVFMVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c13-12-6-11(7-12)9-14-8-10-4-2-1-3-5-10/h1-5,11H,6-9H2.
What are the key properties of 3-(phenylmethoxymethyl)cyclobutan-1-one?
3-(phenylmethoxymethyl)cyclobutan-1-one has a molecular weight of 190.24 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenylmethoxymethyl)cyclobutan-1-one is sourced from PubChem (CID 11819850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).