[4-(2-methylpropyl)phenyl]-(oxan-4-yl)methanone

C16H22O2 — CID 62906178

IUPAC[4-(2-methylpropyl)phenyl]-(oxan-4-yl)methanone
SMILESCC(C)Cc1ccc(C(=O)C2CCOCC2)cc1
InChIInChI=1S/C16H22O2/c1-12(2)11-13-3-5-14(6-4-13)16(17)15-7-9-18-10-8-15/h3-6,12,15H,7-11H2,1-2H3
InChIKeyANQOWEBPIMKHET-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.49
Rot. Bonds4

About [4-(2-methylpropyl)phenyl]-(oxan-4-yl)methanone

[4-(2-methylpropyl)phenyl]-(oxan-4-yl)methanone (PubChem CID 62906178) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is [4-(2-methylpropyl)phenyl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[4-(2-methylpropyl)phenyl]-(oxan-4-yl)methanone
PubChem CID62906178
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name[4-(2-methylpropyl)phenyl]-(oxan-4-yl)methanone
SMILESCC(C)Cc1ccc(C(=O)C2CCOCC2)cc1
InChIInChI=1S/C16H22O2/c1-12(2)11-13-3-5-14(6-4-13)16(17)15-7-9-18-10-8-15/h3-6,12,15H,7-11H2,1-2H3
InChIKeyANQOWEBPIMKHET-UHFFFAOYSA-N
XLogP3.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

oxan-4-yl-(4-propan-2-ylphenyl)methanone
CID 62905290
2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetonitrile
CID 60500740
(2,2-dimethylcyclopropyl)-[4-(2-methylpropyl)phenyl]methanone
CID 107000654
[4-(2-methylpropyl)phenyl]-[1-(morpholine-3-carbonyl)piperidin-4-yl]methanone
CID 119734536
[4-(2-methylpropyl)phenyl]-morpholin-3-ylmethanone
CID 116919590
oxan-4-yl-(4-phenylphenyl)methanone
CID 62905640
2-amino-3-methyl-1-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]pentan-1-one
CID 119734570
[4-(2-methylpropyl)phenyl]-[1-(1-oxidopyridin-1-ium-4-carbonyl)piperidin-4-yl]methanone
CID 51115939
[4-(2-methylpropyl)phenyl]-pyrrolidin-2-ylmethanone
CID 64868969
N-(2,6-dichlorophenyl)-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetamide
CID 60511176
[1-(3-methylbenzoyl)piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone
CID 55707739
N-(methylcarbamoyl)-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetamide
CID 55850203

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpropyl)phenyl]-(oxan-4-yl)methanone?
The IUPAC name of [4-(2-methylpropyl)phenyl]-(oxan-4-yl)methanone (CID 62906178) is [4-(2-methylpropyl)phenyl]-(oxan-4-yl)methanone.
What is the SMILES notation for [4-(2-methylpropyl)phenyl]-(oxan-4-yl)methanone?
The canonical SMILES for [4-(2-methylpropyl)phenyl]-(oxan-4-yl)methanone is CC(C)Cc1ccc(C(=O)C2CCOCC2)cc1.
What is the InChIKey of [4-(2-methylpropyl)phenyl]-(oxan-4-yl)methanone?
The InChIKey is ANQOWEBPIMKHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-12(2)11-13-3-5-14(6-4-13)16(17)15-7-9-18-10-8-15/h3-6,12,15H,7-11H2,1-2H3.
What are the key properties of [4-(2-methylpropyl)phenyl]-(oxan-4-yl)methanone?
[4-(2-methylpropyl)phenyl]-(oxan-4-yl)methanone has a molecular weight of 246.35 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpropyl)phenyl]-(oxan-4-yl)methanone is sourced from PubChem (CID 62906178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).