(2,2-dimethyloxan-4-yl)-(4-methylphenyl)methanone

C15H20O2 — CID 3115871

IUPAC(2,2-dimethyloxan-4-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)C2CCOC(C)(C)C2)cc1
InChIInChI=1S/C15H20O2/c1-11-4-6-12(7-5-11)14(16)13-8-9-17-15(2,3)10-13/h4-7,13H,8-10H2,1-3H3
InChIKeyFSWKCOOMOOUSHC-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.38
Rot. Bonds2

About (2,2-dimethyloxan-4-yl)-(4-methylphenyl)methanone

(2,2-dimethyloxan-4-yl)-(4-methylphenyl)methanone (PubChem CID 3115871) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (2,2-dimethyloxan-4-yl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Name(2,2-dimethyloxan-4-yl)-(4-methylphenyl)methanone
PubChem CID3115871
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(2,2-dimethyloxan-4-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)C2CCOC(C)(C)C2)cc1
InChIInChI=1S/C15H20O2/c1-11-4-6-12(7-5-11)14(16)13-8-9-17-15(2,3)10-13/h4-7,13H,8-10H2,1-3H3
InChIKeyFSWKCOOMOOUSHC-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyloxan-4-yl)-(4-methylphenyl)methanone?
The IUPAC name of (2,2-dimethyloxan-4-yl)-(4-methylphenyl)methanone (CID 3115871) is (2,2-dimethyloxan-4-yl)-(4-methylphenyl)methanone.
What is the SMILES notation for (2,2-dimethyloxan-4-yl)-(4-methylphenyl)methanone?
The canonical SMILES for (2,2-dimethyloxan-4-yl)-(4-methylphenyl)methanone is Cc1ccc(C(=O)C2CCOC(C)(C)C2)cc1.
What is the InChIKey of (2,2-dimethyloxan-4-yl)-(4-methylphenyl)methanone?
The InChIKey is FSWKCOOMOOUSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-11-4-6-12(7-5-11)14(16)13-8-9-17-15(2,3)10-13/h4-7,13H,8-10H2,1-3H3.
What are the key properties of (2,2-dimethyloxan-4-yl)-(4-methylphenyl)methanone?
(2,2-dimethyloxan-4-yl)-(4-methylphenyl)methanone has a molecular weight of 232.32 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyloxan-4-yl)-(4-methylphenyl)methanone is sourced from PubChem (CID 3115871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).