(2R)-2-methyl-4-(phenylmethoxymethyl)cyclobutan-1-one

C13H16O2 — CID 130283628

IUPAC(2R)-2-methyl-4-(phenylmethoxymethyl)cyclobutan-1-one
SMILESC[C@@H]1CC(COCc2ccccc2)C1=O
InChIInChI=1S/C13H16O2/c1-10-7-12(13(10)14)9-15-8-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3/t10-,12?/m1/s1
InChIKeyJLCZFYGUTIIVSC-RWANSRKNSA-N
MW204.27 g/mol
LogP2.43
Rot. Bonds4

About (2R)-2-methyl-4-(phenylmethoxymethyl)cyclobutan-1-one

(2R)-2-methyl-4-(phenylmethoxymethyl)cyclobutan-1-one (PubChem CID 130283628) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is (2R)-2-methyl-4-(phenylmethoxymethyl)cyclobutan-1-one.

Molecular Properties

Compound Name(2R)-2-methyl-4-(phenylmethoxymethyl)cyclobutan-1-one
PubChem CID130283628
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name(2R)-2-methyl-4-(phenylmethoxymethyl)cyclobutan-1-one
SMILESC[C@@H]1CC(COCc2ccccc2)C1=O
InChIInChI=1S/C13H16O2/c1-10-7-12(13(10)14)9-15-8-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3/t10-,12?/m1/s1
InChIKeyJLCZFYGUTIIVSC-RWANSRKNSA-N
XLogP2.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2R)-2-methyl-4-(phenylmethoxymethyl)cyclobutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,5S)-3-methyl-5-(phenylmethoxymethyl)oxolan-2-one
CID 10680435
trans-(1R,2S)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylic acid
CID 86340040
3-(phenylmethoxymethyl)cyclobutan-1-one
CID 11819850
(1S,2S,3S,4R)-2,3-bis(phenylmethoxymethyl)bicyclo[2.1.0]pentane
CID 166976209
3-(phenylmethoxymethyl)piperidin-2-one
CID 102941255
(3R,4S)-3-methyl-4-(phenylmethoxymethyl)oxetan-2-one
CID 134988868
[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245
4-(phenylmethoxymethyl)cyclopentane-1,2-diol
CID 12717277
trans-(1R,2R)-4-(phenylmethoxymethyl)cyclopentane-1,2-diamine
CID 57481680
[(1R,2R)-2-tert-butylcyclopropyl]methoxymethylbenzene
CID 10878630
(4S,5S)-4-methyl-5-(phenylmethoxymethyl)cyclopent-2-en-1-one
CID 58620301
(1R,3R)-2-(phenylmethoxymethyl)-1,3-dithiolane 1,3-dioxide
CID 15856736

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-4-(phenylmethoxymethyl)cyclobutan-1-one?
The IUPAC name of (2R)-2-methyl-4-(phenylmethoxymethyl)cyclobutan-1-one (CID 130283628) is (2R)-2-methyl-4-(phenylmethoxymethyl)cyclobutan-1-one.
What is the SMILES notation for (2R)-2-methyl-4-(phenylmethoxymethyl)cyclobutan-1-one?
The canonical SMILES for (2R)-2-methyl-4-(phenylmethoxymethyl)cyclobutan-1-one is C[C@@H]1CC(COCc2ccccc2)C1=O.
What is the InChIKey of (2R)-2-methyl-4-(phenylmethoxymethyl)cyclobutan-1-one?
The InChIKey is JLCZFYGUTIIVSC-RWANSRKNSA-N. The full InChI is InChI=1S/C13H16O2/c1-10-7-12(13(10)14)9-15-8-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3/t10-,12?/m1/s1.
What are the key properties of (2R)-2-methyl-4-(phenylmethoxymethyl)cyclobutan-1-one?
(2R)-2-methyl-4-(phenylmethoxymethyl)cyclobutan-1-one has a molecular weight of 204.27 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-4-(phenylmethoxymethyl)cyclobutan-1-one is sourced from PubChem (CID 130283628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).