(4,5-dimethyl-3,6-dihydro-2H-pyran-2-yl)-phenylmethanone

C14H16O2 — CID 78068098

IUPAC(4,5-dimethyl-3,6-dihydro-2H-pyran-2-yl)-phenylmethanone
SMILESCC1=C(C)CC(C(=O)c2ccccc2)OC1
InChIInChI=1S/C14H16O2/c1-10-8-13(16-9-11(10)2)14(15)12-6-4-3-5-7-12/h3-7,13H,8-9H2,1-2H3
InChIKeyUQZTZHZDXPQMPU-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.99
Rot. Bonds2

About (4,5-dimethyl-3,6-dihydro-2H-pyran-2-yl)-phenylmethanone

(4,5-dimethyl-3,6-dihydro-2H-pyran-2-yl)-phenylmethanone (PubChem CID 78068098) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is (4,5-dimethyl-3,6-dihydro-2H-pyran-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(4,5-dimethyl-3,6-dihydro-2H-pyran-2-yl)-phenylmethanone
PubChem CID78068098
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name(4,5-dimethyl-3,6-dihydro-2H-pyran-2-yl)-phenylmethanone
SMILESCC1=C(C)CC(C(=O)c2ccccc2)OC1
InChIInChI=1S/C14H16O2/c1-10-8-13(16-9-11(10)2)14(15)12-6-4-3-5-7-12/h3-7,13H,8-9H2,1-2H3
InChIKeyUQZTZHZDXPQMPU-UHFFFAOYSA-N
XLogP2.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4-methyl-3,6-dihydro-2H-pyran-2-yl)-phenylmethanone
CID 10512299
oxiran-2-yl(phenyl)methanone
CID 11788375
[(2R,3S)-3-deuteriooxiran-2-yl]-phenylmethanone
CID 101354786
(1S,6R)-6-benzoyl-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 744231
(2,4-dihydroxyoxolan-3-yl)-phenylmethanone
CID 174518097
[(1S,6S)-3,4-dimethyl-6-(1,1,2,2,2-pentafluoroethyl)cyclohex-3-en-1-yl]-phenylmethanone
CID 11702712
(4-benzoylcyclohexyl)-phenylmethanone
CID 24722598
[(1R,2R)-2-benzoylcyclopropyl]-phenylmethanone
CID 12564065
oxiran-2-yl-(4-phenoxyphenyl)methanone
CID 116826428
(4-methylphenyl)-(oxetan-2-yl)methanone
CID 144956572
(4S,5S)-4-benzoyl-5-methyloxolan-2-one
CID 99865015
[(1R,2R)-2-benzoyl-3-(4-methylphenyl)cyclopropyl]-phenylmethanone
CID 102521707

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethyl-3,6-dihydro-2H-pyran-2-yl)-phenylmethanone?
The IUPAC name of (4,5-dimethyl-3,6-dihydro-2H-pyran-2-yl)-phenylmethanone (CID 78068098) is (4,5-dimethyl-3,6-dihydro-2H-pyran-2-yl)-phenylmethanone.
What is the SMILES notation for (4,5-dimethyl-3,6-dihydro-2H-pyran-2-yl)-phenylmethanone?
The canonical SMILES for (4,5-dimethyl-3,6-dihydro-2H-pyran-2-yl)-phenylmethanone is CC1=C(C)CC(C(=O)c2ccccc2)OC1.
What is the InChIKey of (4,5-dimethyl-3,6-dihydro-2H-pyran-2-yl)-phenylmethanone?
The InChIKey is UQZTZHZDXPQMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-10-8-13(16-9-11(10)2)14(15)12-6-4-3-5-7-12/h3-7,13H,8-9H2,1-2H3.
What are the key properties of (4,5-dimethyl-3,6-dihydro-2H-pyran-2-yl)-phenylmethanone?
(4,5-dimethyl-3,6-dihydro-2H-pyran-2-yl)-phenylmethanone has a molecular weight of 216.28 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethyl-3,6-dihydro-2H-pyran-2-yl)-phenylmethanone is sourced from PubChem (CID 78068098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).