(4-fluoro-2-methylphenyl)methyl cyclobutanecarboxylate

C13H15FO2 — CID 151248116

IUPAC(4-fluoro-2-methylphenyl)methyl cyclobutanecarboxylate
SMILESCc1cc(F)ccc1COC(=O)C1CCC1
InChIInChI=1S/C13H15FO2/c1-9-7-12(14)6-5-11(9)8-16-13(15)10-3-2-4-10/h5-7,10H,2-4,8H2,1H3
InChIKeyNRSSYBMBLCOGRY-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.98
Rot. Bonds3

About (4-fluoro-2-methylphenyl)methyl cyclobutanecarboxylate

(4-fluoro-2-methylphenyl)methyl cyclobutanecarboxylate (PubChem CID 151248116) has the molecular formula C13H15FO2 and a molecular weight of 222.26 g/mol. Its IUPAC name is (4-fluoro-2-methylphenyl)methyl cyclobutanecarboxylate.

Molecular Properties

Compound Name(4-fluoro-2-methylphenyl)methyl cyclobutanecarboxylate
PubChem CID151248116
Molecular FormulaC13H15FO2
Molecular Weight222.26 g/mol
Exact Mass222.11
IUPAC Name(4-fluoro-2-methylphenyl)methyl cyclobutanecarboxylate
SMILESCc1cc(F)ccc1COC(=O)C1CCC1
InChIInChI=1S/C13H15FO2/c1-9-7-12(14)6-5-11(9)8-16-13(15)10-3-2-4-10/h5-7,10H,2-4,8H2,1H3
InChIKeyNRSSYBMBLCOGRY-UHFFFAOYSA-N
XLogP2.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-fluoro-2-methylphenyl)methyl cyclobutanecarboxylate 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

1-cyclopropyl-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347164
ethyl (3R)-1-[(4-fluoro-2-methylphenyl)methyl]piperidine-3-carboxylate
CID 103885835
1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 171948121
(2,4-dichlorophenyl)methyl cyclobutanecarboxylate
CID 2374200
2-(4-fluoro-2-methylphenyl)-1-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)ethanone
CID 171948128
methyl 1-[(4-fluoro-2-methylphenyl)methyl]piperidine-3-carboxylate
CID 113345079
N-(4-fluoro-2-methylphenyl)cyclobutanecarboxamide
CID 17069288
(2-methoxyphenyl)methyl cyclopentanecarboxylate
CID 78760103
1-cyclopentyl-3-(4-fluoro-2-methylphenyl)propan-2-one
CID 115812569
(4-fluoro-2-methylphenyl)methyl 5-amino-2,4-dimethylbenzoate
CID 102706195
2-(4-fluoro-2-methylphenyl)acetic acid
CID 5016950
(4-fluoro-2-methylphenyl)methyl 1-methylpyrazole-4-carboxylate
CID 75484648

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-methylphenyl)methyl cyclobutanecarboxylate?
The IUPAC name of (4-fluoro-2-methylphenyl)methyl cyclobutanecarboxylate (CID 151248116) is (4-fluoro-2-methylphenyl)methyl cyclobutanecarboxylate.
What is the SMILES notation for (4-fluoro-2-methylphenyl)methyl cyclobutanecarboxylate?
The canonical SMILES for (4-fluoro-2-methylphenyl)methyl cyclobutanecarboxylate is Cc1cc(F)ccc1COC(=O)C1CCC1.
What is the InChIKey of (4-fluoro-2-methylphenyl)methyl cyclobutanecarboxylate?
The InChIKey is NRSSYBMBLCOGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO2/c1-9-7-12(14)6-5-11(9)8-16-13(15)10-3-2-4-10/h5-7,10H,2-4,8H2,1H3.
What are the key properties of (4-fluoro-2-methylphenyl)methyl cyclobutanecarboxylate?
(4-fluoro-2-methylphenyl)methyl cyclobutanecarboxylate has a molecular weight of 222.26 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-methylphenyl)methyl cyclobutanecarboxylate is sourced from PubChem (CID 151248116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).