(2,3-dichlorophenyl)-(3-methyloxolan-2-yl)methanone

C12H12Cl2O2 — CID 114970423

IUPAC(2,3-dichlorophenyl)-(3-methyloxolan-2-yl)methanone
SMILESCC1CCOC1C(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H12Cl2O2/c1-7-5-6-16-12(7)11(15)8-3-2-4-9(13)10(8)14/h2-4,7,12H,5-6H2,1H3
InChIKeyLJHONGJNTCTRFX-UHFFFAOYSA-N
MW259.13 g/mol
LogP3.60
Rot. Bonds2

About (2,3-dichlorophenyl)-(3-methyloxolan-2-yl)methanone

(2,3-dichlorophenyl)-(3-methyloxolan-2-yl)methanone (PubChem CID 114970423) has the molecular formula C12H12Cl2O2 and a molecular weight of 259.13 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-(3-methyloxolan-2-yl)methanone.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-(3-methyloxolan-2-yl)methanone
PubChem CID114970423
Molecular FormulaC12H12Cl2O2
Molecular Weight259.13 g/mol
Exact Mass258.02
IUPAC Name(2,3-dichlorophenyl)-(3-methyloxolan-2-yl)methanone
SMILESCC1CCOC1C(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H12Cl2O2/c1-7-5-6-16-12(7)11(15)8-3-2-4-9(13)10(8)14/h2-4,7,12H,5-6H2,1H3
InChIKeyLJHONGJNTCTRFX-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 (2,3-dichlorophenyl)-(3-methyloxolan-2-yl)methanone?
The IUPAC name of (2,3-dichlorophenyl)-(3-methyloxolan-2-yl)methanone (CID 114970423) is (2,3-dichlorophenyl)-(3-methyloxolan-2-yl)methanone.
What is the SMILES notation for (2,3-dichlorophenyl)-(3-methyloxolan-2-yl)methanone?
The canonical SMILES for (2,3-dichlorophenyl)-(3-methyloxolan-2-yl)methanone is CC1CCOC1C(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of (2,3-dichlorophenyl)-(3-methyloxolan-2-yl)methanone?
The InChIKey is LJHONGJNTCTRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2O2/c1-7-5-6-16-12(7)11(15)8-3-2-4-9(13)10(8)14/h2-4,7,12H,5-6H2,1H3.
What are the key properties of (2,3-dichlorophenyl)-(3-methyloxolan-2-yl)methanone?
(2,3-dichlorophenyl)-(3-methyloxolan-2-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 (2,3-dichlorophenyl)-(3-methyloxolan-2-yl)methanone is sourced from PubChem (CID 114970423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).