(3-tert-butylphenyl)-(oxetan-3-yl)methanone

C14H18O2 — CID 154625956

IUPAC(3-tert-butylphenyl)-(oxetan-3-yl)methanone
SMILESCC(C)(C)c1cccc(C(=O)C2COC2)c1
InChIInChI=1S/C14H18O2/c1-14(2,3)12-6-4-5-10(7-12)13(15)11-8-16-9-11/h4-7,11H,8-9H2,1-3H3
InChIKeyOKLMPFFMIRJIKV-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.81
Rot. Bonds2

About (3-tert-butylphenyl)-(oxetan-3-yl)methanone

(3-tert-butylphenyl)-(oxetan-3-yl)methanone (PubChem CID 154625956) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is (3-tert-butylphenyl)-(oxetan-3-yl)methanone.

Molecular Properties

Compound Name(3-tert-butylphenyl)-(oxetan-3-yl)methanone
PubChem CID154625956
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name(3-tert-butylphenyl)-(oxetan-3-yl)methanone
SMILESCC(C)(C)c1cccc(C(=O)C2COC2)c1
InChIInChI=1S/C14H18O2/c1-14(2,3)12-6-4-5-10(7-12)13(15)11-8-16-9-11/h4-7,11H,8-9H2,1-3H3
InChIKeyOKLMPFFMIRJIKV-UHFFFAOYSA-N
XLogP2.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-tert-butylphenyl)-(oxetan-3-yl)methanone?
The IUPAC name of (3-tert-butylphenyl)-(oxetan-3-yl)methanone (CID 154625956) is (3-tert-butylphenyl)-(oxetan-3-yl)methanone.
What is the SMILES notation for (3-tert-butylphenyl)-(oxetan-3-yl)methanone?
The canonical SMILES for (3-tert-butylphenyl)-(oxetan-3-yl)methanone is CC(C)(C)c1cccc(C(=O)C2COC2)c1.
What is the InChIKey of (3-tert-butylphenyl)-(oxetan-3-yl)methanone?
The InChIKey is OKLMPFFMIRJIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-14(2,3)12-6-4-5-10(7-12)13(15)11-8-16-9-11/h4-7,11H,8-9H2,1-3H3.
What are the key properties of (3-tert-butylphenyl)-(oxetan-3-yl)methanone?
(3-tert-butylphenyl)-(oxetan-3-yl)methanone has a molecular weight of 218.30 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butylphenyl)-(oxetan-3-yl)methanone is sourced from PubChem (CID 154625956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).