(4-tert-butylphenyl)-(oxolan-2-yl)methanone

C15H20O2 — CID 43160044

IUPAC(4-tert-butylphenyl)-(oxolan-2-yl)methanone
SMILESCC(C)(C)c1ccc(C(=O)C2CCCO2)cc1
InChIInChI=1S/C15H20O2/c1-15(2,3)12-8-6-11(7-9-12)14(16)13-5-4-10-17-13/h6-9,13H,4-5,10H2,1-3H3
InChIKeyLCNTUWLYMQINEB-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.35
Rot. Bonds2

About (4-tert-butylphenyl)-(oxolan-2-yl)methanone

(4-tert-butylphenyl)-(oxolan-2-yl)methanone (PubChem CID 43160044) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (4-tert-butylphenyl)-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name(4-tert-butylphenyl)-(oxolan-2-yl)methanone
PubChem CID43160044
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(4-tert-butylphenyl)-(oxolan-2-yl)methanone
SMILESCC(C)(C)c1ccc(C(=O)C2CCCO2)cc1
InChIInChI=1S/C15H20O2/c1-15(2,3)12-8-6-11(7-9-12)14(16)13-5-4-10-17-13/h6-9,13H,4-5,10H2,1-3H3
InChIKeyLCNTUWLYMQINEB-UHFFFAOYSA-N
XLogP3.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(4-tert-butylphenyl)oxolane-2-carboxamide
CID 8779725
N-[4-(oxolane-2-carbonyl)phenyl]acetamide
CID 43160165
(4-hydroxyphenyl)-(oxan-2-yl)methanone
CID 67839565
(4-methylphenyl)-(oxetan-2-yl)methanone
CID 144956572
(4-methoxyphenyl)-(oxan-2-yl)methanone
CID 62212790
N-(4-tert-butylphenyl)oxane-2-carboxamide
CID 110858471
(4-tert-butylphenyl)-(4-propylmorpholin-2-yl)methanone
CID 79663285
(4-cyclohexylphenyl)-(oxan-2-yl)methanone
CID 62212791
2-(4-tert-butylphenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 110801219
N-[4-[(4-tert-butylbenzoyl)amino]-3-hydroxyphenyl]oxolane-2-carboxamide
CID 17362172
2-(4-tert-butylbenzoyl)cyclohexan-1-one
CID 67133289
1-(4-tert-butylphenyl)-3-(1,3-dioxolan-2-yl)propan-1-one
CID 2757286

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-(oxolan-2-yl)methanone?
The IUPAC name of (4-tert-butylphenyl)-(oxolan-2-yl)methanone (CID 43160044) is (4-tert-butylphenyl)-(oxolan-2-yl)methanone.
What is the SMILES notation for (4-tert-butylphenyl)-(oxolan-2-yl)methanone?
The canonical SMILES for (4-tert-butylphenyl)-(oxolan-2-yl)methanone is CC(C)(C)c1ccc(C(=O)C2CCCO2)cc1.
What is the InChIKey of (4-tert-butylphenyl)-(oxolan-2-yl)methanone?
The InChIKey is LCNTUWLYMQINEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-15(2,3)12-8-6-11(7-9-12)14(16)13-5-4-10-17-13/h6-9,13H,4-5,10H2,1-3H3.
What are the key properties of (4-tert-butylphenyl)-(oxolan-2-yl)methanone?
(4-tert-butylphenyl)-(oxolan-2-yl)methanone has a molecular weight of 232.32 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-(oxolan-2-yl)methanone is sourced from PubChem (CID 43160044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).