3,4-dihydro-2H-pyran-6-yl-(3-fluoro-4-methylphenyl)methanone

C13H13FO2 — CID 102646801

IUPAC3,4-dihydro-2H-pyran-6-yl-(3-fluoro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)C2=CCCCO2)cc1F
InChIInChI=1S/C13H13FO2/c1-9-5-6-10(8-11(9)14)13(15)12-4-2-3-7-16-12/h4-6,8H,2-3,7H2,1H3
InChIKeyANEPTDYZZHWFCU-UHFFFAOYSA-N
MW220.24 g/mol
LogP3.01
Rot. Bonds2

About 3,4-dihydro-2H-pyran-6-yl-(3-fluoro-4-methylphenyl)methanone

3,4-dihydro-2H-pyran-6-yl-(3-fluoro-4-methylphenyl)methanone (PubChem CID 102646801) has the molecular formula C13H13FO2 and a molecular weight of 220.24 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-6-yl-(3-fluoro-4-methylphenyl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl-(3-fluoro-4-methylphenyl)methanone
PubChem CID102646801
Molecular FormulaC13H13FO2
Molecular Weight220.24 g/mol
Exact Mass220.09
IUPAC Name3,4-dihydro-2H-pyran-6-yl-(3-fluoro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)C2=CCCCO2)cc1F
InChIInChI=1S/C13H13FO2/c1-9-5-6-10(8-11(9)14)13(15)12-4-2-3-7-16-12/h4-6,8H,2-3,7H2,1H3
InChIKeyANEPTDYZZHWFCU-UHFFFAOYSA-N
XLogP3.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-3-methylphenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102648656
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(3-fluoro-4-methylphenyl)methanone
CID 43337618
(2,5-difluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102646868
2,3-dihydro-1H-isoindol-5-yl(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102648499
(2-chloro-4-methylphenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 106865225
(2,5-dimethylphenyl)-(3-fluoro-4-methylphenyl)methanone
CID 43337276
(3-fluoro-4-methylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 43337574
(2-fluoro-4-methylphenyl)-(3-fluoro-4-methylphenyl)methanone
CID 107129912
(2-amino-3-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102648445
(2-bromo-5-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102648565
3,4-dihydro-2H-pyran-6-yl-(4-methylquinolin-2-yl)methanone
CID 102647067
3,4-dihydro-2H-pyran-6-yl-(6-methylpyridazin-3-yl)methanone
CID 130956966

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(3-fluoro-4-methylphenyl)methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(3-fluoro-4-methylphenyl)methanone (CID 102646801) is 3,4-dihydro-2H-pyran-6-yl-(3-fluoro-4-methylphenyl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl-(3-fluoro-4-methylphenyl)methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl-(3-fluoro-4-methylphenyl)methanone is Cc1ccc(C(=O)C2=CCCCO2)cc1F.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl-(3-fluoro-4-methylphenyl)methanone?
The InChIKey is ANEPTDYZZHWFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FO2/c1-9-5-6-10(8-11(9)14)13(15)12-4-2-3-7-16-12/h4-6,8H,2-3,7H2,1H3.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl-(3-fluoro-4-methylphenyl)methanone?
3,4-dihydro-2H-pyran-6-yl-(3-fluoro-4-methylphenyl)methanone has a molecular weight of 220.24 g/mol, XLogP of 3.01, 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-6-yl-(3-fluoro-4-methylphenyl)methanone is sourced from PubChem (CID 102646801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).