4-phenyl-6-propan-2-ylpyran-2-one

C14H14O2 — CID 164685505

IUPAC4-phenyl-6-propan-2-ylpyran-2-one
SMILESCC(C)c1cc(-c2ccccc2)cc(=O)o1
InChIInChI=1S/C14H14O2/c1-10(2)13-8-12(9-14(15)16-13)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyGKRHRWPAVDHNGD-UHFFFAOYSA-N
MW214.26 g/mol
LogP3.43
Rot. Bonds2

About 4-phenyl-6-propan-2-ylpyran-2-one

4-phenyl-6-propan-2-ylpyran-2-one (PubChem CID 164685505) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 4-phenyl-6-propan-2-ylpyran-2-one.

Molecular Properties

Compound Name4-phenyl-6-propan-2-ylpyran-2-one
PubChem CID164685505
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name4-phenyl-6-propan-2-ylpyran-2-one
SMILESCC(C)c1cc(-c2ccccc2)cc(=O)o1
InChIInChI=1S/C14H14O2/c1-10(2)13-8-12(9-14(15)16-13)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyGKRHRWPAVDHNGD-UHFFFAOYSA-N
XLogP3.43
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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4,9,14,19,24-pentakis-phenylhexacyclo[20.3.1.12,6.17,11.112,16.117,21]triaconta-1(26),2(30),3,5,7(29),8,10,12(28),13,15,17,19,21(27),22,24-pentadecaene
CID 177480216
4-hydroxy-6-(1-phenylethyl)pyran-2-one
CID 54690177
1-ethyl-2-fluoro-5-phenyl-3-propan-2-ylbenzene
CID 142366211
6-(5-hydroxy-4,4-dimethylpentyl)-4-phenylpyran-2-one
CID 91593489
6-methyl-4,5-diphenylpyran-2-one
CID 71359580
1-methyl-3-phenyl-5-propan-2-ylbenzene
CID 123242650
4-phenyl-1,2,6-tri(propan-2-yl)pyridin-1-ium
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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-6-propan-2-ylpyran-2-one?
The IUPAC name of 4-phenyl-6-propan-2-ylpyran-2-one (CID 164685505) is 4-phenyl-6-propan-2-ylpyran-2-one.
What is the SMILES notation for 4-phenyl-6-propan-2-ylpyran-2-one?
The canonical SMILES for 4-phenyl-6-propan-2-ylpyran-2-one is CC(C)c1cc(-c2ccccc2)cc(=O)o1.
What is the InChIKey of 4-phenyl-6-propan-2-ylpyran-2-one?
The InChIKey is GKRHRWPAVDHNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2/c1-10(2)13-8-12(9-14(15)16-13)11-6-4-3-5-7-11/h3-10H,1-2H3.
What are the key properties of 4-phenyl-6-propan-2-ylpyran-2-one?
4-phenyl-6-propan-2-ylpyran-2-one has a molecular weight of 214.26 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-6-propan-2-ylpyran-2-one is sourced from PubChem (CID 164685505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).