(2,6-dichlorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanone

C12H10Cl2O2 — CID 115798036

IUPAC(2,6-dichlorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanone
SMILESO=C(C1=COCCC1)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H10Cl2O2/c13-9-4-1-5-10(14)11(9)12(15)8-3-2-6-16-7-8/h1,4-5,7H,2-3,6H2
InChIKeyDEKPRPWFHOVBLB-UHFFFAOYSA-N
MW257.12 g/mol
LogP3.87
Rot. Bonds2

About (2,6-dichlorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanone

(2,6-dichlorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanone (PubChem CID 115798036) 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-5-yl)methanone.

Molecular Properties

Compound Name(2,6-dichlorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanone
PubChem CID115798036
Molecular FormulaC12H10Cl2O2
Molecular Weight257.12 g/mol
Exact Mass256.01
IUPAC Name(2,6-dichlorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanone
SMILESO=C(C1=COCCC1)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H10Cl2O2/c13-9-4-1-5-10(14)11(9)12(15)8-3-2-6-16-7-8/h1,4-5,7H,2-3,6H2
InChIKeyDEKPRPWFHOVBLB-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

(4-aminophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanone
CID 116548854
3,4-dihydro-2H-pyran-5-yl-(4-phosphanylphenyl)methanone
CID 162283979
(2,6-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102648583
3,4-dihydro-2H-pyran-5-yl-(3,4-dimethylphenyl)methanone
CID 115798228
3,4-dihydro-2H-pyran-5-yl-(2,5-dimethylphenyl)methanone
CID 115798074
(2-bromo-5-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanone
CID 115798022
(4-amino-3-bromophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanone
CID 116582131
azetidin-1-yl(3,4-dihydro-2H-pyran-5-yl)methanone
CID 131084146
(5-bromo-3-methyltriazol-4-yl)-(3,4-dihydro-2H-pyran-5-yl)methanone
CID 130597637
(2,3-dichlorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine
CID 105033531
1-(2,6-dichlorophenyl)-3-(1,3-dioxan-2-yl)propan-1-one
CID 24727960
3,4-dihydro-2H-pyran-5-yl-(5-methyl-3-pyridinyl)methanone
CID 105127434

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanone?
The IUPAC name of (2,6-dichlorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanone (CID 115798036) is (2,6-dichlorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanone.
What is the SMILES notation for (2,6-dichlorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanone?
The canonical SMILES for (2,6-dichlorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanone is O=C(C1=COCCC1)c1c(Cl)cccc1Cl.
What is the InChIKey of (2,6-dichlorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanone?
The InChIKey is DEKPRPWFHOVBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2O2/c13-9-4-1-5-10(14)11(9)12(15)8-3-2-6-16-7-8/h1,4-5,7H,2-3,6H2.
What are the key properties of (2,6-dichlorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanone?
(2,6-dichlorophenyl)-(3,4-dihydro-2H-pyran-5-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-5-yl)methanone is sourced from PubChem (CID 115798036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).