3,4-dihydro-2H-pyran-5-yl-(3,4-dimethylphenyl)methanone

C14H16O2 — CID 115798228

IUPAC3,4-dihydro-2H-pyran-5-yl-(3,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)C2=COCCC2)cc1C
InChIInChI=1S/C14H16O2/c1-10-5-6-12(8-11(10)2)14(15)13-4-3-7-16-9-13/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyPKAXHXSNDMWAID-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.18
Rot. Bonds2

About 3,4-dihydro-2H-pyran-5-yl-(3,4-dimethylphenyl)methanone

3,4-dihydro-2H-pyran-5-yl-(3,4-dimethylphenyl)methanone (PubChem CID 115798228) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-5-yl-(3,4-dimethylphenyl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-5-yl-(3,4-dimethylphenyl)methanone
PubChem CID115798228
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name3,4-dihydro-2H-pyran-5-yl-(3,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)C2=COCCC2)cc1C
InChIInChI=1S/C14H16O2/c1-10-5-6-12(8-11(10)2)14(15)13-4-3-7-16-9-13/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyPKAXHXSNDMWAID-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methoxy-1,4-Naphthoquinone
CID 16871
2,4-Dimethylacetophenone
CID 6985
2,3-Dimethoxy-1,4-naphthoquinone
CID 3136
1-(3,4-Dimethyl-phenyl)-2-phenyl-ethane-1,2-dione
CID 2427416
2,4,6-Trimethylbenzophenone
CID 70380
3,4-Dimethylacetophenone
CID 77193
Mansonone F
CID 94304
NAPHTHO(1,8-bc)PYRAN-7,8-DIONE, 6,9-DIMETHYL-3-(4-METHYL-3-PENTENYL)-
CID 57525
Ethanone, 1-(2,5-dimethylphenyl)-
CID 75061
4-Hydroxysaprothoquinone
CID 5325817
Chimaphilin
CID 101211
Salvisyrianone
CID 11771368

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-5-yl-(3,4-dimethylphenyl)methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-5-yl-(3,4-dimethylphenyl)methanone (CID 115798228) is 3,4-dihydro-2H-pyran-5-yl-(3,4-dimethylphenyl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-5-yl-(3,4-dimethylphenyl)methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-5-yl-(3,4-dimethylphenyl)methanone is Cc1ccc(C(=O)C2=COCCC2)cc1C.
What is the InChIKey of 3,4-dihydro-2H-pyran-5-yl-(3,4-dimethylphenyl)methanone?
The InChIKey is PKAXHXSNDMWAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-10-5-6-12(8-11(10)2)14(15)13-4-3-7-16-9-13/h5-6,8-9H,3-4,7H2,1-2H3.
What are the key properties of 3,4-dihydro-2H-pyran-5-yl-(3,4-dimethylphenyl)methanone?
3,4-dihydro-2H-pyran-5-yl-(3,4-dimethylphenyl)methanone has a molecular weight of 216.28 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-5-yl-(3,4-dimethylphenyl)methanone is sourced from PubChem (CID 115798228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).