(4-methylphenyl)-(oxetan-2-yl)methanone

C11H12O2 — CID 144956572

IUPAC(4-methylphenyl)-(oxetan-2-yl)methanone
SMILESCc1ccc(C(=O)C2CCO2)cc1
InChIInChI=1S/C11H12O2/c1-8-2-4-9(5-3-8)11(12)10-6-7-13-10/h2-5,10H,6-7H2,1H3
InChIKeyRNKGOSMDRDOSHJ-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.97
Rot. Bonds2

About (4-methylphenyl)-(oxetan-2-yl)methanone

(4-methylphenyl)-(oxetan-2-yl)methanone (PubChem CID 144956572) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is (4-methylphenyl)-(oxetan-2-yl)methanone.

Molecular Properties

Compound Name(4-methylphenyl)-(oxetan-2-yl)methanone
PubChem CID144956572
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name(4-methylphenyl)-(oxetan-2-yl)methanone
SMILESCc1ccc(C(=O)C2CCO2)cc1
InChIInChI=1S/C11H12O2/c1-8-2-4-9(5-3-8)11(12)10-6-7-13-10/h2-5,10H,6-7H2,1H3
InChIKeyRNKGOSMDRDOSHJ-UHFFFAOYSA-N
XLogP1.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-tert-butylphenyl)-(oxolan-2-yl)methanone
CID 43160044
(4-hydroxyphenyl)-(oxan-2-yl)methanone
CID 67839565
N-[4-(oxolane-2-carbonyl)phenyl]acetamide
CID 43160165
(4-methoxyphenyl)-(oxan-2-yl)methanone
CID 62212790
(3-methylphenyl)-(oxan-2-yl)methanone
CID 114962654
[(1R,2R)-2-(4-methylbenzoyl)cyclopropyl]-(4-methylphenyl)methanone
CID 12032685
(2S)-N'-(4-methylbenzoyl)oxolane-2-carbohydrazide
CID 40870131
(4-cyclohexylphenyl)-(oxan-2-yl)methanone
CID 62212791
(4-methylphenyl) oxolane-2-carboxylate
CID 143671181
2-(4-methylphenyl)-1-(oxolan-2-yl)ethanone
CID 61080286
(4-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171950826
2,3-dihydro-1,4-benzodioxin-3-yl-(4-methylphenyl)methanone
CID 43338806

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-(oxetan-2-yl)methanone?
The IUPAC name of (4-methylphenyl)-(oxetan-2-yl)methanone (CID 144956572) is (4-methylphenyl)-(oxetan-2-yl)methanone.
What is the SMILES notation for (4-methylphenyl)-(oxetan-2-yl)methanone?
The canonical SMILES for (4-methylphenyl)-(oxetan-2-yl)methanone is Cc1ccc(C(=O)C2CCO2)cc1.
What is the InChIKey of (4-methylphenyl)-(oxetan-2-yl)methanone?
The InChIKey is RNKGOSMDRDOSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-8-2-4-9(5-3-8)11(12)10-6-7-13-10/h2-5,10H,6-7H2,1H3.
What are the key properties of (4-methylphenyl)-(oxetan-2-yl)methanone?
(4-methylphenyl)-(oxetan-2-yl)methanone has a molecular weight of 176.22 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-(oxetan-2-yl)methanone is sourced from PubChem (CID 144956572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).