3-(2,3-dichlorophenyl)cyclohexan-1-one

C12H12Cl2O — CID 64520336

IUPAC3-(2,3-dichlorophenyl)cyclohexan-1-one
SMILESO=C1CCCC(c2cccc(Cl)c2Cl)C1
InChIInChI=1S/C12H12Cl2O/c13-11-6-2-5-10(12(11)14)8-3-1-4-9(15)7-8/h2,5-6,8H,1,3-4,7H2
InChIKeyQQPUNCAQVACTCH-UHFFFAOYSA-N
MW243.13 g/mol
LogP4.22
Rot. Bonds1

About 3-(2,3-dichlorophenyl)cyclohexan-1-one

3-(2,3-dichlorophenyl)cyclohexan-1-one (PubChem CID 64520336) has the molecular formula C12H12Cl2O and a molecular weight of 243.13 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)cyclohexan-1-one.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)cyclohexan-1-one
PubChem CID64520336
Molecular FormulaC12H12Cl2O
Molecular Weight243.13 g/mol
Exact Mass242.03
IUPAC Name3-(2,3-dichlorophenyl)cyclohexan-1-one
SMILESO=C1CCCC(c2cccc(Cl)c2Cl)C1
InChIInChI=1S/C12H12Cl2O/c13-11-6-2-5-10(12(11)14)8-3-1-4-9(15)7-8/h2,5-6,8H,1,3-4,7H2
InChIKeyQQPUNCAQVACTCH-UHFFFAOYSA-N
XLogP4.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.13
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)cyclohexan-1-one?
The IUPAC name of 3-(2,3-dichlorophenyl)cyclohexan-1-one (CID 64520336) is 3-(2,3-dichlorophenyl)cyclohexan-1-one.
What is the SMILES notation for 3-(2,3-dichlorophenyl)cyclohexan-1-one?
The canonical SMILES for 3-(2,3-dichlorophenyl)cyclohexan-1-one is O=C1CCCC(c2cccc(Cl)c2Cl)C1.
What is the InChIKey of 3-(2,3-dichlorophenyl)cyclohexan-1-one?
The InChIKey is QQPUNCAQVACTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2O/c13-11-6-2-5-10(12(11)14)8-3-1-4-9(15)7-8/h2,5-6,8H,1,3-4,7H2.
What are the key properties of 3-(2,3-dichlorophenyl)cyclohexan-1-one?
3-(2,3-dichlorophenyl)cyclohexan-1-one has a molecular weight of 243.13 g/mol, XLogP of 4.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)cyclohexan-1-one is sourced from PubChem (CID 64520336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).