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

C12H10Cl2O2 — CID 102648583

IUPAC(2,6-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
SMILESO=C(C1=CCCCO1)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H10Cl2O2/c13-8-4-3-5-9(14)11(8)12(15)10-6-1-2-7-16-10/h3-6H,1-2,7H2
InChIKeyTWXKHDFWNFRFKM-UHFFFAOYSA-N
MW257.12 g/mol
LogP3.87
Rot. Bonds2

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

(2,6-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone (PubChem CID 102648583) has the molecular formula C12H10Cl2O2 and a molecular weight of 257.12 g/mol. Its IUPAC name is (2,6-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone.

Molecular Properties

Compound Name(2,6-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
PubChem CID102648583
Molecular FormulaC12H10Cl2O2
Molecular Weight257.12 g/mol
Exact Mass256.01
IUPAC Name(2,6-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
SMILESO=C(C1=CCCCO1)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H10Cl2O2/c13-8-4-3-5-9(14)11(8)12(15)10-6-1-2-7-16-10/h3-6H,1-2,7H2
InChIKeyTWXKHDFWNFRFKM-UHFFFAOYSA-N
XLogP3.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.12
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-6-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102647070
(4-chloro-3-methylphenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102648656
(2,6-difluorophenyl)-(2,3-dihydrofuran-5-yl)methanone
CID 102651034
(4-aminophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102648271
(2-amino-3-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102648445
(2,6-dichlorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanone
CID 115798036
cyclopentyl(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102646809
(2-bromofuran-3-yl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 106856818
(2,5-difluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102646868
methyl (2S)-2-(2-chlorophenyl)-2-(3,4-dihydro-2H-pyran-6-carbonylamino)acetate
CID 95934944
3,4-dihydro-2H-pyran-6-yl-(6-methylpyridazin-3-yl)methanone
CID 130956966
azepan-1-yl(3,4-dihydro-2H-pyran-6-yl)methanone
CID 71926691

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone?
The IUPAC name of (2,6-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone (CID 102648583) is (2,6-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone.
What is the SMILES notation for (2,6-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone?
The canonical SMILES for (2,6-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone is O=C(C1=CCCCO1)c1c(Cl)cccc1Cl.
What is the InChIKey of (2,6-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone?
The InChIKey is TWXKHDFWNFRFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2O2/c13-8-4-3-5-9(14)11(8)12(15)10-6-1-2-7-16-10/h3-6H,1-2,7H2.
What are the key properties of (2,6-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone?
(2,6-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone has a molecular weight of 257.12 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone is sourced from PubChem (CID 102648583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).