(2,6-dichlorophenyl)-(oxan-3-yl)methanone

C12H12Cl2O2 — CID 107138536

IUPAC(2,6-dichlorophenyl)-(oxan-3-yl)methanone
SMILESO=C(c1c(Cl)cccc1Cl)C1CCCOC1
InChIInChI=1S/C12H12Cl2O2/c13-9-4-1-5-10(14)11(9)12(15)8-3-2-6-16-7-8/h1,4-5,8H,2-3,6-7H2
InChIKeyAOHXGOAOBIDKDL-UHFFFAOYSA-N
MW259.13 g/mol
LogP3.60
Rot. Bonds2

About (2,6-dichlorophenyl)-(oxan-3-yl)methanone

(2,6-dichlorophenyl)-(oxan-3-yl)methanone (PubChem CID 107138536) has the molecular formula C12H12Cl2O2 and a molecular weight of 259.13 g/mol. Its IUPAC name is (2,6-dichlorophenyl)-(oxan-3-yl)methanone.

Molecular Properties

Compound Name(2,6-dichlorophenyl)-(oxan-3-yl)methanone
PubChem CID107138536
Molecular FormulaC12H12Cl2O2
Molecular Weight259.13 g/mol
Exact Mass258.02
IUPAC Name(2,6-dichlorophenyl)-(oxan-3-yl)methanone
SMILESO=C(c1c(Cl)cccc1Cl)C1CCCOC1
InChIInChI=1S/C12H12Cl2O2/c13-9-4-1-5-10(14)11(9)12(15)8-3-2-6-16-7-8/h1,4-5,8H,2-3,6-7H2
InChIKeyAOHXGOAOBIDKDL-UHFFFAOYSA-N
XLogP3.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.13
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)-(oxan-3-yl)methanone?
The IUPAC name of (2,6-dichlorophenyl)-(oxan-3-yl)methanone (CID 107138536) is (2,6-dichlorophenyl)-(oxan-3-yl)methanone.
What is the SMILES notation for (2,6-dichlorophenyl)-(oxan-3-yl)methanone?
The canonical SMILES for (2,6-dichlorophenyl)-(oxan-3-yl)methanone is O=C(c1c(Cl)cccc1Cl)C1CCCOC1.
What is the InChIKey of (2,6-dichlorophenyl)-(oxan-3-yl)methanone?
The InChIKey is AOHXGOAOBIDKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2O2/c13-9-4-1-5-10(14)11(9)12(15)8-3-2-6-16-7-8/h1,4-5,8H,2-3,6-7H2.
What are the key properties of (2,6-dichlorophenyl)-(oxan-3-yl)methanone?
(2,6-dichlorophenyl)-(oxan-3-yl)methanone has a molecular weight of 259.13 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)-(oxan-3-yl)methanone is sourced from PubChem (CID 107138536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).